 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer01_STD_B3LYPDBJ_def2SVPD.in
 Output=21_phenylethanol_conformer01_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-18349.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     18351.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer01_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:36:22 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer01_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                 2.166220000000     -0.541659000000      1.195302000000
  C                                                 1.646020000000     -0.400115000000     -0.135719000000
  H                                                 1.838555000000      0.193959000000      1.725431000000
  H                                                 1.824407000000     -1.375317000000     -0.592567000000
  C                                                 2.427578000000      0.650046000000     -0.915467000000
  C                                                 0.150400000000     -0.165668000000     -0.105785000000
  H                                                 2.328899000000      1.638727000000     -0.463185000000
  H                                                 2.074000000000      0.712216000000     -1.946429000000
  H                                                 3.485412000000      0.387513000000     -0.919933000000
  C                                                -0.725222000000     -1.234479000000     -0.286837000000
  C                                                -2.100455000000     -1.052102000000     -0.214220000000
  C                                                -2.622082000000      0.208958000000      0.048005000000
  C                                                -1.759833000000      1.283245000000      0.232897000000
  C                                                -0.385458000000      1.096625000000      0.152590000000
  H                                                -0.321703000000     -2.220444000000     -0.483457000000
  H                                                -2.764487000000     -1.894375000000     -0.360877000000
  H                                                -3.693001000000      0.354600000000      0.105456000000
  H                                                -2.158100000000      2.269728000000      0.433453000000
  H                                                 0.270579000000      1.947610000000      0.286902000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 20:36:23 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.166220   -0.541659    1.195302
      2          6           0        1.646020   -0.400115   -0.135719
      3          1           0        1.838555    0.193959    1.725431
      4          1           0        1.824407   -1.375317   -0.592567
      5          6           0        2.427578    0.650046   -0.915467
      6          6           0        0.150400   -0.165668   -0.105785
      7          1           0        2.328899    1.638727   -0.463185
      8          1           0        2.074000    0.712216   -1.946429
      9          1           0        3.485412    0.387513   -0.919933
     10          6           0       -0.725222   -1.234479   -0.286837
     11          6           0       -2.100455   -1.052102   -0.214220
     12          6           0       -2.622082    0.208958    0.048005
     13          6           0       -1.759833    1.283245    0.232897
     14          6           0       -0.385458    1.096625    0.152590
     15          1           0       -0.321703   -2.220444   -0.483457
     16          1           0       -2.764487   -1.894375   -0.360877
     17          1           0       -3.693001    0.354600    0.105456
     18          1           0       -2.158100    2.269728    0.433453
     19          1           0        0.270579    1.947610    0.286902
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.436057   0.000000
     3  H    0.964124   1.963128   0.000000
     4  H    2.002073   1.091582   2.799275   0.000000
     5  C    2.437994   1.523705   2.743958   2.137797   0.000000
     6  C    2.428524   1.514180   2.516456   2.121911   2.550787
     7  H    2.744290   2.174956   2.667926   3.058711   1.091690
     8  H    3.383959   2.167745   3.715721   2.500607   1.091680
     9  H    2.660422   2.149119   3.122107   2.444110   1.089934
    10  C    3.322224   2.518291   3.558456   2.571753   3.726494
    11  C    4.522369   3.803594   4.564068   3.956281   4.887958
    12  C    4.980718   4.315254   4.765634   4.763562   5.159642
    13  C    4.435131   3.816990   4.045071   4.538295   4.387948
    14  C    3.206600   2.539735   2.869646   3.398420   3.041932
    15  H    3.438940   2.703045   3.921128   2.309098   3.998111
    16  H    5.344474   4.662197   5.468255   4.623965   5.808544
    17  H    6.026733   5.397491   5.766128   5.824229   6.212170
    18  H    5.213833   4.682237   4.685219   5.495401   5.046920
    19  H    3.258083   2.753590   2.757391   3.772226   2.789625
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.851216   0.000000
     8  H    2.803371   1.767317   0.000000
     9  H    3.477233   1.763995   1.775165   0.000000
    10  C    1.393503   4.196912   3.792033   4.556436   0.000000
    11  C    2.421543   5.188615   4.851746   5.811405   1.389173
    12  C    2.801902   5.178587   5.126814   6.186297   2.407012
    13  C    2.421372   4.162767   4.446775   5.444626   2.771187
    14  C    1.395452   2.835628   3.256161   4.078821   2.396368
    15  H    2.141873   4.681805   4.059578   4.635308   1.083335
    16  H    3.398539   6.199666   5.720074   6.676885   2.144655
    17  H    3.884203   6.183495   6.131592   7.251353   3.389215
    18  H    3.398691   4.619013   5.099054   6.101116   3.853754
    19  H    2.152810   2.212402   3.125107   3.771671   3.383266
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.389651   0.000000
    13  C    2.402037   1.389874   0.000000
    14  C    2.773588   2.408605   1.389310   0.000000
    15  H    2.145104   3.387653   3.854506   3.378101   0.000000
    16  H    1.082530   2.147434   3.385139   3.856100   2.467497
    17  H    2.148768   1.082303   2.148432   3.390083   4.282910
    18  H    3.384872   2.147236   1.082584   2.144135   4.937076
    19  H    3.856319   3.383411   2.137024   1.082866   4.279828
                   16         17         18         19
    16  H    0.000000
    17  H    2.477396   0.000000
    18  H    4.282338   2.476130   0.000000
    19  H    4.938835   4.275578   2.454327   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.42D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.166220   -0.541659    1.195302
      2          6           0        1.646020   -0.400115   -0.135719
      3          1           0        1.838555    0.193959    1.725431
      4          1           0        1.824407   -1.375317   -0.592567
      5          6           0        2.427578    0.650046   -0.915467
      6          6           0        0.150400   -0.165668   -0.105785
      7          1           0        2.328899    1.638727   -0.463185
      8          1           0        2.074000    0.712216   -1.946429
      9          1           0        3.485412    0.387513   -0.919933
     10          6           0       -0.725222   -1.234479   -0.286837
     11          6           0       -2.100455   -1.052102   -0.214220
     12          6           0       -2.622082    0.208958    0.048005
     13          6           0       -1.759833    1.283245    0.232897
     14          6           0       -0.385458    1.096625    0.152590
     15          1           0       -0.321703   -2.220444   -0.483457
     16          1           0       -2.764487   -1.894375   -0.360877
     17          1           0       -3.693001    0.354600    0.105456
     18          1           0       -2.158100    2.269728    0.433453
     19          1           0        0.270579    1.947610    0.286902
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4676766           1.1011704           0.9798041
 Leave Link  202 at Thu Aug 12 20:36:23 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   281 symmetry adapted cartesian basis functions of A   symmetry.
 There are   263 symmetry adapted basis functions of A   symmetry.
   263 basis functions,   391 primitive gaussians,   281 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       424.8829512949 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0325297302 Hartrees.
 Nuclear repulsion after empirical dispersion term =      424.8504215648 Hartrees.
 Leave Link  301 at Thu Aug 12 20:36:24 2021, MaxMem=  5368709120 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   263 RedAO= T EigKep=  5.18D-06  NBF=   263
 NBsUse=   263 1.00D-06 EigRej= -1.00D+00 NBFU=   263
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   281   281   281   281   281 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 20:36:25 2021, MaxMem=  5368709120 cpu:               3.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:36:26 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer01_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:36:26 2021, MaxMem=  5368709120 cpu:               3.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368546127 LenY=  5368466725
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -385.864752372713    
 DIIS: error= 3.13D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -385.864752372713     IErMin= 1 ErrMin= 3.13D-03
 ErrMax= 3.13D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.86D-03 BMatP= 6.86D-03
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.13D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.236 Goal=   None    Shift=    0.000
 GapD=    0.236 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.12D-02 MaxDP=6.52D-01              OVMax= 2.34D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.45D-02    CP:  1.47D+00
 E= -385.871389546876     Delta-E=       -0.006637174163 Rises=F Damp=F
 DIIS: error= 6.05D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -385.871389546876     IErMin= 2 ErrMin= 6.05D-04
 ErrMax= 6.05D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.09D-04 BMatP= 6.86D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.05D-03
 Coeff-Com:  0.479D-01 0.952D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.476D-01 0.952D+00
 Gap=     0.237 Goal=   None    Shift=    0.000
 RMSDP=9.63D-04 MaxDP=3.03D-02 DE=-6.64D-03 OVMax= 8.18D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.03D-04    CP:  1.49D+00  1.04D+00
 E= -385.871176231781     Delta-E=        0.000213315095 Rises=F Damp=F
 DIIS: error= 9.88D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -385.871389546876     IErMin= 2 ErrMin= 6.05D-04
 ErrMax= 9.88D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.26D-04 BMatP= 3.09D-04
 IDIUse=3 WtCom= 2.41D-01 WtEn= 7.59D-01
 Coeff-Com: -0.159D-01 0.595D+00 0.421D+00
 Coeff-En:   0.000D+00 0.629D+00 0.371D+00
 Coeff:     -0.384D-02 0.621D+00 0.383D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=1.37D-04 MaxDP=4.82D-03 DE= 2.13D-04 OVMax= 5.12D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.38D-05    CP:  1.49D+00  1.04D+00  6.93D-01
 E= -385.871648448787     Delta-E=       -0.000472217006 Rises=F Damp=F
 DIIS: error= 8.80D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -385.871648448787     IErMin= 4 ErrMin= 8.80D-05
 ErrMax= 8.80D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.74D-06 BMatP= 3.09D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.836D-02 0.232D+00 0.135D+00 0.641D+00
 Coeff:     -0.836D-02 0.232D+00 0.135D+00 0.641D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=3.79D-05 MaxDP=1.34D-03 DE=-4.72D-04 OVMax= 4.86D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.82D-05    CP:  1.49D+00  1.04D+00  6.53D-01  1.07D+00
 E= -385.871652908153     Delta-E=       -0.000004459366 Rises=F Damp=F
 DIIS: error= 3.54D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -385.871652908153     IErMin= 5 ErrMin= 3.54D-05
 ErrMax= 3.54D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.04D-07 BMatP= 4.74D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.162D-02 0.199D-01 0.223D-02 0.280D+00 0.699D+00
 Coeff:     -0.162D-02 0.199D-01 0.223D-02 0.280D+00 0.699D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=2.37D-05 MaxDP=7.61D-04 DE=-4.46D-06 OVMax= 2.02D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.75D-06    CP:  1.49D+00  1.04D+00  6.57D-01  1.08D+00  8.16D-01
 E= -385.871653414700     Delta-E=       -0.000000506547 Rises=F Damp=F
 DIIS: error= 6.42D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -385.871653414700     IErMin= 6 ErrMin= 6.42D-06
 ErrMax= 6.42D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.16D-08 BMatP= 5.04D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.544D-03 0.307D-02-0.265D-02 0.115D+00 0.337D+00 0.547D+00
 Coeff:     -0.544D-03 0.307D-02-0.265D-02 0.115D+00 0.337D+00 0.547D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=2.97D-06 MaxDP=8.53D-05 DE=-5.07D-07 OVMax= 1.18D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.78D-06    CP:  1.49D+00  1.04D+00  6.58D-01  1.08D+00  8.25D-01
                    CP:  9.17D-01
 E= -385.871653440396     Delta-E=       -0.000000025696 Rises=F Damp=F
 DIIS: error= 3.26D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -385.871653440396     IErMin= 7 ErrMin= 3.26D-06
 ErrMax= 3.26D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.90D-09 BMatP= 3.16D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.135D-04-0.213D-02-0.211D-02 0.154D-01 0.714D-01 0.357D+00
 Coeff-Com:  0.560D+00
 Coeff:     -0.135D-04-0.213D-02-0.211D-02 0.154D-01 0.714D-01 0.357D+00
 Coeff:      0.560D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=1.31D-06 MaxDP=3.74D-05 DE=-2.57D-08 OVMax= 4.63D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.21D-07    CP:  1.49D+00  1.04D+00  6.57D-01  1.08D+00  8.28D-01
                    CP:  9.39D-01  6.77D-01
 E= -385.871653450625     Delta-E=       -0.000000010228 Rises=F Damp=F
 DIIS: error= 6.03D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -385.871653450625     IErMin= 8 ErrMin= 6.03D-07
 ErrMax= 6.03D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.59D-10 BMatP= 8.90D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.198D-04-0.110D-02-0.801D-03 0.146D-02 0.166D-01 0.137D+00
 Coeff-Com:  0.261D+00 0.585D+00
 Coeff:      0.198D-04-0.110D-02-0.801D-03 0.146D-02 0.166D-01 0.137D+00
 Coeff:      0.261D+00 0.585D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=2.73D-07 MaxDP=5.37D-06 DE=-1.02D-08 OVMax= 8.16D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.04D-07    CP:  1.49D+00  1.04D+00  6.58D-01  1.08D+00  8.28D-01
                    CP:  9.38D-01  6.78D-01  7.70D-01
 E= -385.871653450893     Delta-E=       -0.000000000268 Rises=F Damp=F
 DIIS: error= 2.65D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -385.871653450893     IErMin= 9 ErrMin= 2.65D-07
 ErrMax= 2.65D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.15D-11 BMatP= 2.59D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.127D-04-0.327D-03-0.152D-03-0.138D-02-0.692D-03 0.296D-01
 Coeff-Com:  0.745D-01 0.325D+00 0.574D+00
 Coeff:      0.127D-04-0.327D-03-0.152D-03-0.138D-02-0.692D-03 0.296D-01
 Coeff:      0.745D-01 0.325D+00 0.574D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=9.43D-08 MaxDP=2.25D-06 DE=-2.68D-10 OVMax= 2.25D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.95D-08    CP:  1.49D+00  1.04D+00  6.58D-01  1.08D+00  8.28D-01
                    CP:  9.37D-01  6.80D-01  7.82D-01  6.60D-01
 E= -385.871653450924     Delta-E=       -0.000000000032 Rises=F Damp=F
 DIIS: error= 3.90D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -385.871653450924     IErMin=10 ErrMin= 3.90D-08
 ErrMax= 3.90D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-12 BMatP= 4.15D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.452D-05-0.831D-04-0.254D-04-0.672D-03-0.127D-02 0.495D-02
 Coeff-Com:  0.178D-01 0.110D+00 0.244D+00 0.625D+00
 Coeff:      0.452D-05-0.831D-04-0.254D-04-0.672D-03-0.127D-02 0.495D-02
 Coeff:      0.178D-01 0.110D+00 0.244D+00 0.625D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=2.55D-08 MaxDP=6.47D-07 DE=-3.19D-11 OVMax= 7.28D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.03D-08    CP:  1.49D+00  1.04D+00  6.58D-01  1.08D+00  8.28D-01
                    CP:  9.38D-01  6.82D-01  7.90D-01  6.73D-01  8.26D-01
 E= -385.871653450904     Delta-E=        0.000000000021 Rises=F Damp=F
 DIIS: error= 2.32D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -385.871653450924     IErMin=11 ErrMin= 2.32D-08
 ErrMax= 2.32D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.64D-13 BMatP= 1.44D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.110D-05-0.908D-05 0.288D-05-0.227D-03-0.673D-03-0.594D-03
 Coeff-Com:  0.168D-02 0.256D-01 0.707D-01 0.386D+00 0.518D+00
 Coeff:      0.110D-05-0.908D-05 0.288D-05-0.227D-03-0.673D-03-0.594D-03
 Coeff:      0.168D-02 0.256D-01 0.707D-01 0.386D+00 0.518D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=9.86D-09 MaxDP=3.26D-07 DE= 2.09D-11 OVMax= 4.09D-07

 SCF Done:  E(RB3LYP) =  -385.871653451     A.U. after   11 cycles
            NFock= 11  Conv=0.99D-08     -V/T= 2.0112
 KE= 3.816110409576D+02 PE=-1.744633543664D+03 EE= 5.523004276912D+02
 Leave Link  502 at Thu Aug 12 20:37:40 2021, MaxMem=  5368709120 cpu:             586.5 elap:              73.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   263
 NBasis=   263 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    263 NOA=    33 NOB=    33 NVA=   230 NVB=   230

 **** Warning!!: The largest alpha MO coefficient is  0.69759846D+02

 Leave Link  801 at Thu Aug 12 20:37:40 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5740 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.26D-13 8.33D-09 XBig12= 1.00D+00 4.64D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.26D-13 8.33D-09 XBig12= 4.06D-01 8.91D-02.
     11 vectors produced by pass  2 Test12= 1.26D-13 8.33D-09 XBig12= 5.12D-02 4.76D-02.
     11 vectors produced by pass  3 Test12= 1.26D-13 8.33D-09 XBig12= 3.47D-03 1.55D-02.
     11 vectors produced by pass  4 Test12= 1.26D-13 8.33D-09 XBig12= 2.98D-04 3.66D-03.
     11 vectors produced by pass  5 Test12= 1.26D-13 8.33D-09 XBig12= 5.60D-06 3.86D-04.
     11 vectors produced by pass  6 Test12= 1.26D-13 8.33D-09 XBig12= 9.28D-08 4.38D-05.
     11 vectors produced by pass  7 Test12= 1.26D-13 8.33D-09 XBig12= 1.14D-09 4.59D-06.
     10 vectors produced by pass  8 Test12= 1.26D-13 8.33D-09 XBig12= 1.35D-11 5.73D-07.
      7 vectors produced by pass  9 Test12= 1.26D-13 8.33D-09 XBig12= 1.04D-13 4.80D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   105 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.129586D+03
      2  0.910275D+00  0.103497D+03
      3 -0.133479D+01  0.570669D+01  0.725586D+02
 Isotropic polarizability for W=    0.085645      101.88 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.917343D+02 -0.383287D+01  0.725817D+01
      2   0.294302D+02  0.101314D+02  0.667545D+01
      3   0.623041D+02 -0.629851D+01 -0.139336D+02
      4   0.150949D+02 -0.805410D+02 -0.270647D+02
      5  -0.161983D+02 -0.277512D+02  0.284357D+02
      6  -0.118522D+02 -0.143118D+02  0.959653D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.340839D+00 -0.797738D+01 -0.225382D+01
      2   0.118897D+02 -0.106465D+02  0.962153D+01
      3   0.157809D+01  0.408152D+02  0.100666D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.686501D+00 -0.209872D+02 -0.158950D+02
      2   0.234565D+02 -0.152125D+02 -0.338685D+02
      3   0.189277D+02  0.109971D+03  0.158990D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.461572D+00 -0.669432D+00  0.548019D+00
      2  -0.669432D+00  0.140058D+01 -0.309634D+01
      3   0.548019D+00 -0.309634D+01 -0.117806D+01
 OR G Eigenvalues:    -3.2455    -0.6394     3.6458  Iso=     0.0797
 Eigenvectors:
   (1)  -0.031609   0.551138   0.833815
   (2)   0.978207   0.188337  -0.087405
   (3)  -0.205211   0.812881  -0.545081
 w=    0.085645 a.u., Optical Rotation Beta=      0.0797 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =       30.93 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   34716 ScalPx= 5.36D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.68D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.11D-14 2.78D-09 XBig12= 1.00D+00 4.15D-01.
     30 vectors produced by pass  1 Test12= 2.11D-14 2.78D-09 XBig12= 3.93D-02 3.88D-02.
     30 vectors produced by pass  2 Test12= 2.11D-14 2.78D-09 XBig12= 7.12D-04 3.52D-03.
     30 vectors produced by pass  3 Test12= 2.11D-14 2.78D-09 XBig12= 8.15D-06 4.74D-04.
     30 vectors produced by pass  4 Test12= 2.11D-14 2.78D-09 XBig12= 7.02D-08 4.35D-05.
     30 vectors produced by pass  5 Test12= 2.11D-14 2.78D-09 XBig12= 3.88D-10 2.12D-06.
     30 vectors produced by pass  6 Test12= 2.11D-14 2.78D-09 XBig12= 9.14D-13 1.03D-07.
      2 vectors produced by pass  7 Test12= 2.11D-14 2.78D-09 XBig12= 1.21D-15 5.05D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   212 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 1.05D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 1.05D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.53D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129586D+03  0.910275D+00 -0.133479D+01
      2   0.910275D+00  0.103497D+03  0.570669D+01
      3  -0.133479D+01  0.570669D+01  0.725586D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.340839D+00 -0.797738D+01 -0.225382D+01
      2   0.118897D+02 -0.106465D+02  0.962153D+01
      3   0.157809D+01  0.408152D+02  0.100666D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.917343D+02 -0.383287D+01  0.725817D+01
      2   0.294302D+02  0.101314D+02  0.667545D+01
      3   0.623041D+02 -0.629851D+01 -0.139336D+02
      4   0.150949D+02 -0.805410D+02 -0.270647D+02
      5  -0.161983D+02 -0.277512D+02  0.284357D+02
      6  -0.118522D+02 -0.143118D+02  0.959653D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.558548D+01 -0.100560D+01  0.227936D+01 -0.275703D+01  0.207489D+01
      2  -0.100560D+01  0.796208D+00 -0.418980D+00  0.207489D+01 -0.307801D+01
      3   0.227936D+01 -0.418980D+00  0.290723D+01 -0.130514D+01 -0.407164D-01
                 6             7             8             9            10 
      1  -0.130514D+01  0.611504D+01 -0.111677D+01  0.395972D+01 -0.449327D+01
      2  -0.407164D-01 -0.111677D+01 -0.123397D+01 -0.316648D+01  0.134898D+00
      3  -0.343179D+01  0.395972D+01 -0.316648D+01  0.284243D+01 -0.679378D+00
                11            12            13            14            15 
      1   0.134898D+00 -0.679378D+00 -0.529510D+00 -0.238705D+01  0.195977D+01
      2  -0.732964D+00  0.154400D+01 -0.238705D+01  0.403427D+01  0.321292D+01
      3   0.154400D+01 -0.276468D+01  0.195977D+01  0.321292D+01  0.273828D+00
                16            17            18            19            20 
      1  -0.526189D+01  0.220873D+01 -0.560017D+01 -0.598277D+00  0.435481D+00
      2   0.220873D+01  0.337958D+01  0.182869D+01  0.435481D+00 -0.426505D+00
      3  -0.560017D+01  0.182869D+01 -0.192367D+01  0.671112D-01 -0.402975D+00
                21            22            23            24            25 
      1   0.671112D-01  0.220969D+01 -0.439024D-01  0.454854D+00  0.180152D+01
      2  -0.402975D+00 -0.439024D-01  0.214852D+01  0.185351D+01 -0.204670D+00
      3  -0.135136D+01  0.454854D+00  0.185351D+01  0.321185D+01  0.534765D+00
                26            27            28            29            30 
      1  -0.204670D+00  0.534765D+00  0.311371D+00 -0.119063D+01 -0.739181D+00
      2   0.182766D+01  0.127231D+01 -0.119063D+01  0.118634D+01  0.200068D+00
      3   0.127231D+01  0.435179D+01 -0.739181D+00  0.200068D+00  0.776094D+00
                31            32            33            34            35 
      1  -0.252823D+01  0.190576D+01  0.375662D+00 -0.961739D+00  0.413368D+00
      2   0.190576D+01 -0.614248D+01 -0.189575D+01  0.413368D+00 -0.224332D+01
      3   0.375662D+00 -0.189575D+01 -0.185894D+01  0.115546D+01 -0.168665D+01
                36            37            38            39            40 
      1   0.115546D+01 -0.897386D+01  0.196274D+01  0.259349D+00  0.472859D+01
      2  -0.168665D+01  0.196274D+01  0.116287D+01 -0.119211D+01  0.133008D+01
      3  -0.148612D+01  0.259349D+00 -0.119211D+01  0.322777D+01 -0.152969D+01
                41            42            43            44            45 
      1   0.133008D+01 -0.152969D+01 -0.124272D+01 -0.147115D+01  0.264200D+01
      2  -0.344159D+01 -0.291503D+01 -0.147115D+01 -0.280483D+01 -0.807379D+00
      3  -0.291503D+01 -0.162507D+00  0.264200D+01 -0.807379D+00  0.511970D+01
                46            47            48            49            50 
      1   0.182545D+02 -0.192804D+01  0.115914D+01 -0.340093D+01 -0.125161D+01
      2  -0.192804D+01  0.256567D+01 -0.315467D-01 -0.125161D+01 -0.712272D+00
      3   0.115914D+01 -0.315467D-01  0.216818D+01 -0.175735D+01 -0.441169D+00
                51            52            53            54            55 
      1  -0.175735D+01 -0.634453D+00 -0.105053D+01  0.401221D+01  0.485024D+00
      2  -0.441169D+00 -0.105053D+01 -0.300337D+00 -0.383073D+00  0.519361D+00
      3  -0.211514D+00  0.401221D+01 -0.383073D+00 -0.393140D+00  0.500848D+00
                56            57            58            59            60 
      1   0.519361D+00  0.500848D+00  0.186972D+01  0.885229D+00 -0.116487D+00
      2  -0.446915D-01  0.252150D+00  0.885229D+00  0.621351D+01  0.102289D+01
      3   0.252150D+00 -0.408479D+00 -0.116487D+00  0.102289D+01  0.167677D+01
                61            62            63            64            65 
      1   0.137132D+01  0.550218D+00 -0.202139D+00  0.177279D+00 -0.885484D-01
      2   0.550218D+00  0.203829D+01  0.124278D+01 -0.885484D-01 -0.508984D+00
      3  -0.202139D+00  0.124278D+01  0.594842D+00 -0.981402D+00  0.400814D+00
                66            67            68            69            70 
      1  -0.981402D+00 -0.508820D+00 -0.546029D-01  0.110276D+00 -0.169741D+01
      2   0.400814D+00 -0.546029D-01  0.749826D+00 -0.948888D+00 -0.193315D+00
      3  -0.205368D+01  0.110276D+00 -0.948888D+00  0.554267D+00  0.113653D+00
                71            72            73            74            75 
      1  -0.193315D+00  0.113653D+00  0.133902D+02 -0.468578D+00 -0.155250D+01
      2  -0.119218D+01  0.131383D+01 -0.468578D+00  0.108200D+01 -0.263014D-01
      3   0.131383D+01 -0.889625D+01 -0.155250D+01 -0.263014D-01  0.121714D+01
                76            77            78            79            80 
      1  -0.254564D+01  0.107264D+01  0.578413D+00 -0.894528D-01  0.160134D+00
      2   0.107264D+01 -0.285875D+00  0.168986D+00  0.160134D+00  0.344359D+00
      3   0.578413D+00  0.168986D+00 -0.480128D+00  0.115179D+01  0.300137D-02
                81            82            83            84            85 
      1   0.115179D+01 -0.575154D+01  0.263538D+01 -0.601088D-01 -0.661925D+01
      2   0.300137D-02  0.263538D+01  0.234293D+01  0.287907D+00  0.252664D+00
      3  -0.773973D+00 -0.601088D-01  0.287907D+00  0.769448D+00 -0.426546D+00
                86            87            88            89            90 
      1   0.252664D+00 -0.426546D+00 -0.118412D+01 -0.611005D+00  0.109687D+01
      2  -0.147985D+01  0.833312D+00 -0.611005D+00  0.119064D+01 -0.377064D+01
      3   0.833312D+00 -0.170537D+01  0.109687D+01 -0.377064D+01 -0.219923D+01
                91            92            93            94            95 
      1   0.271318D+01 -0.576296D+00  0.223499D+00 -0.575079D+01  0.926898D+00
      2  -0.576296D+00 -0.292346D+01 -0.685364D+00  0.926898D+00 -0.488045D+00
      3   0.223499D+00 -0.685364D+00 -0.137360D+01  0.566025D+00  0.104776D+01
                96            97            98            99           100 
      1   0.566025D+00 -0.114719D+01  0.707738D+00 -0.299417D+01 -0.562144D+01
      2   0.104776D+01  0.707738D+00  0.141521D+01 -0.311450D+01  0.159193D+00
      3  -0.135687D+01 -0.299417D+01 -0.311450D+01 -0.143681D+01 -0.290237D+00
               101           102           103           104           105 
      1   0.159193D+00 -0.290237D+00  0.868051D+00  0.533280D+00  0.142507D+01
      2  -0.327221D+01 -0.199312D+00  0.533280D+00 -0.102648D+00 -0.498726D+00
      3  -0.199312D+00 -0.229876D+01  0.142507D+01 -0.498726D+00  0.201014D+00
               106           107           108           109           110 
      1   0.353126D-01  0.115487D+01 -0.529173D+01  0.447619D+01 -0.747779D+00
      2   0.115487D+01 -0.138108D+00  0.437274D+00 -0.747779D+00 -0.192303D+01
      3  -0.529173D+01  0.437274D+00  0.551846D+00 -0.126597D+00  0.101632D+00
               111           112           113           114           115 
      1  -0.126597D+00  0.509194D+01 -0.156115D+00  0.335191D+00  0.122586D+01
      2   0.101632D+00 -0.156115D+00  0.107473D+01 -0.888410D+00  0.489956D+00
      3  -0.870732D+00  0.335191D+00 -0.888410D+00  0.155423D+01 -0.183804D+01
               116           117           118           119           120 
      1   0.489956D+00 -0.183804D+01 -0.455718D+01 -0.489021D+00 -0.202313D+00
      2  -0.117922D+01  0.380830D+01 -0.489021D+00  0.331502D+01  0.549136D+00
      3   0.380830D+01  0.221595D+01 -0.202313D+00  0.549136D+00  0.141887D+01
               121           122           123           124           125 
      1   0.887154D+01  0.572219D-01  0.361118D+00  0.182744D+01 -0.609213D-01
      2   0.572219D-01  0.126267D+01 -0.566878D+00 -0.609213D-01 -0.114106D+01
      3   0.361118D+00 -0.566878D+00  0.167263D+01  0.205260D+01  0.310720D+01
               126           127           128           129           130 
      1   0.205260D+01  0.156281D+01 -0.178926D+01 -0.395279D+00 -0.155668D+01
      2   0.310720D+01 -0.178926D+01  0.229014D+01  0.451788D+00  0.202932D+01
      3   0.142780D+01 -0.395279D+00  0.451788D+00  0.293579D+00  0.443285D+00
               131           132           133           134           135 
      1   0.202932D+01  0.443285D+00 -0.418404D+00  0.467012D+00 -0.907091D-03
      2  -0.881600D+01 -0.153862D+01  0.467012D+00 -0.161208D+01 -0.457157D+00
      3  -0.153862D+01 -0.115552D+01 -0.907091D-03 -0.457157D+00 -0.245628D+00
               136           137           138           139           140 
      1  -0.509805D+01 -0.394077D+01 -0.656382D+00 -0.382523D+01 -0.453118D+01
      2  -0.394077D+01 -0.360704D+01 -0.500109D+00 -0.453118D+01 -0.669524D+01
      3  -0.656382D+00 -0.500109D+00 -0.640935D+00 -0.783860D+00 -0.101244D+01
               141           142           143           144           145 
      1  -0.783860D+00 -0.653215D+00 -0.738398D+00 -0.265311D+00 -0.132893D+02
      2  -0.101244D+01 -0.738398D+00 -0.120700D+01 -0.320864D+00  0.136403D+01
      3  -0.923621D+00 -0.265311D+00 -0.320864D+00 -0.203890D+00  0.597491D+00
               146           147           148           149           150 
      1   0.136403D+01  0.597491D+00  0.139216D+01 -0.171740D+01 -0.339280D+00
      2  -0.927302D+00 -0.333933D-01 -0.171740D+01  0.488330D+00  0.975229D-01
      3  -0.333933D-01 -0.940770D+00 -0.339280D+00  0.975229D-01  0.146066D+00
               151           152           153           154           155 
      1   0.491581D+00 -0.358133D+00 -0.193848D+00 -0.229073D+01  0.264254D+01
      2  -0.358133D+00  0.893752D-01  0.496708D-01  0.264254D+01 -0.281253D+01
      3  -0.193848D+00  0.496708D-01  0.101862D+00  0.574736D+00 -0.536741D+00
               156           157           158           159           160 
      1   0.574736D+00  0.233163D+01 -0.381334D+01 -0.771800D+00  0.500927D+00
      2  -0.536741D+00 -0.381334D+01  0.949532D+01  0.173667D+01 -0.765850D+00
      3  -0.436211D+00 -0.771800D+00  0.173667D+01  0.120125D+01 -0.202429D+00
               161           162           163           164           165 
      1  -0.765850D+00 -0.202429D+00  0.371770D+01  0.237089D+01  0.218422D-01
      2   0.180246D+01  0.471974D+00  0.237089D+01  0.243753D+01  0.239338D+00
      3   0.471974D+00  0.266934D+00  0.218422D-01  0.239338D+00  0.360904D+00
               166           167           168           169           170 
      1   0.265878D+01  0.288721D+01  0.420491D+00 -0.783970D-01  0.418718D+00
      2   0.288721D+01  0.577483D+01  0.773064D+00  0.418718D+00  0.964544D+00
      3   0.420491D+00  0.773064D+00  0.794357D+00 -0.130312D+00  0.171705D+00
               171 
      1  -0.130312D+00
      2   0.171705D+00
      3   0.855490D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.822970D+00  0.408847D+01  0.139793D+01  0.909238D+00 -0.591526D+01
      2   0.145809D+01  0.739773D+00  0.126826D+02  0.295221D+01 -0.265912D+01
      3  -0.902691D+00 -0.837729D+01 -0.154539D+01 -0.436342D+01  0.656350D+01
                 6             7             8             9            10 
      1  -0.811515D+01  0.279846D+01  0.414606D-01 -0.183450D+00 -0.341038D-01
      2  -0.790202D+01  0.700771D+01 -0.811489D+01  0.456467D+01 -0.649510D+00
      3   0.209963D+01 -0.368261D+01  0.303735D+01  0.563706D+01  0.503729D+01
                11            12            13            14            15 
      1   0.429210D+00  0.150936D+00  0.103209D+01  0.986678D+00 -0.323032D+01
      2   0.111648D+01 -0.392549D+01  0.136057D+01  0.594778D+01  0.132645D+01
      3   0.270334D+01 -0.508879D+00  0.129559D+02 -0.778043D+01 -0.832751D+01
                16            17            18            19            20 
      1  -0.211085D+01  0.772461D+00 -0.128678D+01  0.242407D+01 -0.204250D+01
      2  -0.162928D+02  0.534786D+01 -0.553168D+01  0.433799D+01 -0.210078D+01
      3   0.439204D+00 -0.102310D+02 -0.175494D+01 -0.270627D+01  0.212190D+01
                21            22            23            24            25 
      1  -0.837627D+00 -0.165411D+01  0.617164D+01  0.369911D+01 -0.562916D+00
      2  -0.294460D+01 -0.325537D+01  0.518591D+01  0.767018D+01 -0.173345D+01
      3   0.986590D+00  0.380975D+01 -0.493431D+01 -0.476868D+01  0.305106D+00
                26            27            28            29            30 
      1   0.469343D+01  0.462395D+01 -0.146771D-01 -0.576652D+00  0.719634D+00
      2   0.366240D+01  0.950891D+01 -0.171704D+01  0.301842D+00  0.202214D+01
      3  -0.351934D+01 -0.394554D+01  0.332263D+01 -0.302120D+01 -0.141471D+00
                31            32            33            34            35 
      1  -0.736343D-01  0.140292D+01 -0.266537D+01  0.848625D+00  0.120948D+01
      2  -0.454627D+00 -0.345033D+01 -0.395272D+01  0.255607D+00 -0.302865D+01
      3   0.136843D+01  0.123026D+02  0.400208D+01  0.772191D+00  0.507599D+01
                36            37            38            39            40 
      1  -0.754083D+00 -0.234846D+01 -0.164192D+01 -0.141784D+01  0.572399D-01
      2  -0.225644D+01 -0.761382D+01 -0.787807D+00  0.113813D+02 -0.231155D+00
      3   0.290521D+01 -0.144910D+02 -0.627143D+01  0.381895D+01 -0.512202D+00
                41            42            43            44            45 
      1   0.595921D+01  0.170045D+01  0.760265D+00  0.647238D+01 -0.495232D+01
      2  -0.656190D+01 -0.263198D+01  0.269411D+01 -0.417821D+01  0.179987D+02
      3   0.128724D+02  0.845514D+01  0.296839D+01  0.865423D+01  0.386880D+01
                46            47            48            49            50 
      1   0.694552D+00  0.161368D+00  0.252247D+00  0.810970D+00 -0.214305D+01
      2   0.250389D+01 -0.152586D+01 -0.858543D+00 -0.127545D+01 -0.825643D+00
      3  -0.169835D+01  0.536170D+01  0.833598D+00  0.179672D+02 -0.173772D+01
                51            52            53            54            55 
      1   0.112998D+01  0.129055D+01  0.104489D+02  0.171826D+01 -0.153351D+01
      2   0.418406D+00 -0.160058D+02 -0.214540D+00 -0.102905D+01  0.161958D+01
      3   0.250843D+01  0.675810D+00  0.298627D+00 -0.108768D+01 -0.367227D+01
                56            57            58            59            60 
      1  -0.482540D-01  0.400219D+00  0.100003D+00 -0.790194D+01 -0.529457D+01
      2   0.852580D+00 -0.350669D+00  0.470690D+00  0.374958D+01  0.453312D+01
      3   0.786361D+00  0.432499D+00  0.322426D+01 -0.180458D+02 -0.440835D+01
                61            62            63            64            65 
      1  -0.662188D-01 -0.195491D+01 -0.249767D+01  0.784543D+00  0.112956D+01
      2  -0.120774D+01  0.328931D+01  0.162420D+01 -0.385350D+01  0.589076D+00
      3   0.163093D+01 -0.636347D+01 -0.425300D+01  0.168020D-01  0.885119D+00
                66            67            68            69            70 
      1   0.129772D+01  0.551826D+00 -0.384458D+00 -0.508770D+00  0.678162D+00
      2  -0.558639D+01 -0.154595D+00 -0.223617D+01  0.169364D+01 -0.460396D+01
      3  -0.153398D+01  0.147153D+01 -0.194488D+01  0.218303D+01 -0.130323D+01
                71            72            73            74            75 
      1   0.271212D+01  0.517175D+01  0.146267D+01 -0.163941D+01 -0.598450D+00
      2   0.314353D+01 -0.227378D+02  0.809403D+01 -0.617207D+00  0.484139D+01
      3   0.273671D+01 -0.414911D+01  0.954250D+01 -0.679924D+01 -0.822382D+00
                76            77            78            79            80 
      1  -0.121297D+01  0.177734D+00 -0.813766D+00 -0.667011D+00  0.217172D+00
      2  -0.643129D+00  0.152986D+01 -0.122519D+01  0.149206D+01  0.842013D-01
      3  -0.341411D+01  0.113892D+01 -0.796724D+00 -0.813392D+00 -0.899811D+00
                81            82            83            84            85 
      1   0.182148D+00 -0.107083D+01 -0.717536D+00  0.938879D+00 -0.133631D+01
      2  -0.126398D+01 -0.301334D+01  0.152699D+01 -0.669052D+00  0.144386D+01
      3   0.451241D+00  0.482221D+01 -0.467117D+01 -0.151018D+01  0.315900D+01
                86            87            88            89            90 
      1   0.336798D+00 -0.229991D+01  0.429517D+01  0.704384D+00 -0.295094D+00
      2   0.986446D+00  0.119709D+01 -0.131316D+02  0.187539D+01  0.242861D+01
      3  -0.586027D+01 -0.686778D+00 -0.217015D+01  0.646164D+00 -0.522444D+01
                91            92            93            94            95 
      1   0.117848D+00  0.268582D+00 -0.173690D+01  0.120353D+01 -0.148000D+00
      2   0.131480D+01  0.132875D+01  0.244386D+01 -0.134112D+01 -0.267014D+01
      3  -0.360479D+01 -0.101443D+02 -0.164175D+01  0.661697D+01 -0.285479D+00
                96            97            98            99           100 
      1  -0.164620D+01 -0.652773D+01  0.409231D+01  0.928062D+00  0.247070D-01
      2   0.393466D+01 -0.334427D+01  0.996404D+01  0.347694D+01 -0.111233D+01
      3   0.190368D+01  0.113043D+01  0.271983D+01 -0.443445D+01  0.247936D+01
               101           102           103           104           105 
      1   0.254909D+00  0.701426D+00 -0.189537D-01 -0.296320D+01  0.101361D+01
      2  -0.146304D+00  0.582452D+01 -0.423381D+01 -0.170261D+00 -0.978287D+00
      3  -0.613242D+01 -0.431063D-01  0.125581D+02  0.147847D+01 -0.577938D+00
               106           107           108           109           110 
      1   0.205668D+01  0.112323D+02  0.253835D+01  0.763037D+00 -0.174655D+00
      2   0.703413D+01 -0.234967D+01 -0.138303D+01  0.201596D+01  0.265987D+01
      3   0.344981D+01 -0.238502D+00  0.102681D+01 -0.271196D+01 -0.133891D+02
               111           112           113           114           115 
      1   0.192179D+01 -0.105068D+01  0.318315D+00 -0.244164D+01  0.511707D+01
      2   0.138555D+01  0.135474D+01  0.271115D+01 -0.358492D+01 -0.804776D+01
      3  -0.241356D+01  0.390474D+01  0.293527D+00 -0.176103D+01  0.737000D-01
               116           117           118           119           120 
      1   0.764598D+00 -0.104301D+01 -0.137311D+01 -0.171302D+00 -0.256606D+01
      2  -0.906464D+01 -0.377388D+01 -0.183405D+01  0.382500D+00 -0.134522D+01
      3  -0.296785D+01  0.450059D+01 -0.382331D+00 -0.299877D+00  0.844985D+00
               121           122           123           124           125 
      1   0.857070D+00 -0.493832D+00 -0.183927D+01 -0.749527D+01  0.298585D+01
      2   0.365597D+01 -0.714171D+00 -0.936828D+00 -0.125130D+02 -0.803072D+00
      3   0.806826D+00  0.576153D+01 -0.459329D+00 -0.214309D+01  0.612141D+00
               126           127           128           129           130 
      1   0.585405D-02  0.320700D-01 -0.252327D+00  0.144611D+01  0.110235D-01
      2  -0.719405D+00  0.124849D+01 -0.917226D+00  0.102081D+00 -0.122894D+01
      3   0.649929D+01 -0.589776D+01  0.384501D+01  0.979285D+00  0.680348D+01
               131           132           133           134           135 
      1   0.757788D+00 -0.405851D+01 -0.444592D+00  0.197839D+01 -0.350766D+00
      2   0.187860D+01 -0.159404D+00 -0.160444D+01  0.365822D+00 -0.132961D+00
      3  -0.886769D+01 -0.199471D+01  0.125620D+01 -0.157853D+01 -0.147903D+00
               136           137           138           139           140 
      1   0.202106D+00  0.559174D+00 -0.220470D+01 -0.894986D-01  0.464679D+00
      2  -0.581517D-01  0.590257D-01  0.284837D+01  0.724278D+00  0.136355D+01
      3  -0.155241D+01 -0.476224D+01 -0.272745D+00 -0.381369D+01 -0.111116D+02
               141           142           143           144           145 
      1  -0.315350D+01  0.739098D+00  0.137297D+01 -0.392354D+00 -0.102903D+00
      2   0.343724D+01 -0.697120D+00 -0.284129D+00  0.442075D+00 -0.919756D+00
      3  -0.134351D+01 -0.732101D+00 -0.212085D+01 -0.359121D+00  0.638308D+00
               146           147           148           149           150 
      1  -0.210407D+00  0.644492D+00  0.423478D-01 -0.771733D-02 -0.392948D+00
      2  -0.728170D-01  0.607786D+01  0.130968D+01 -0.304194D+00 -0.873015D+00
      3  -0.524343D+01  0.152691D+00 -0.394991D+01  0.147429D+01  0.229621D+00
               151           152           153           154           155 
      1  -0.315272D+00  0.445007D+00  0.162159D-01 -0.188990D+00 -0.120529D+00
      2  -0.216055D+01  0.800388D-01 -0.279766D+00 -0.310737D+00  0.388372D+00
      3  -0.135448D+01  0.474080D+00  0.269303D-01  0.734338D+00 -0.234251D+01
               156           157           158           159           160 
      1   0.159357D+01  0.263354D+00  0.316226D+00 -0.430359D+01 -0.566680D+00
      2   0.148761D+01  0.478252D+00 -0.246996D+01 -0.314593D+01 -0.386631D+00
      3  -0.228519D+00 -0.142195D+01  0.137134D+02  0.224011D+01 -0.362732D+00
               161           162           163           164           165 
      1   0.170473D+01 -0.555203D+00  0.983956D+00  0.704218D+00 -0.210338D+01
      2   0.625295D-02 -0.594039D+00 -0.217753D+01 -0.923241D+00  0.861960D+00
      3   0.273826D+01  0.545057D+00  0.105714D+02  0.400252D+01 -0.237569D+00
               166           167           168           169           170 
      1   0.264406D+00  0.211456D+00 -0.305895D+01  0.627450D+00  0.185519D+01
      2  -0.932072D+00 -0.129097D+01  0.117952D+01 -0.154102D+01 -0.235868D+00
      3   0.761567D+01  0.542436D+01  0.839412D+00 -0.139973D+00  0.926011D+00
               171 
      1  -0.229270D-01
      2   0.321332D+00
      3  -0.104798D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.203567D+02 -0.327176D+01  0.173729D+01 -0.343990D+01  0.468990D+01
      2  -0.140570D+02 -0.355460D+00 -0.734740D+01  0.118932D+01  0.447447D+01
      3  -0.629974D+01  0.362722D+01  0.561012D+01  0.225058D+01 -0.916437D+01
      4  -0.531278D+01  0.139029D+02 -0.272693D+01  0.165645D+02 -0.155727D+02
      5   0.154704D+02 -0.337737D+01  0.221215D+02 -0.834711D+01  0.255649D+01
      6  -0.443932D+01  0.521635D+01 -0.902073D+00  0.506718D+01 -0.103168D+02
                 6             7             8             9            10 
      1   0.822100D+01  0.363826D+01  0.517821D+01  0.527648D+00  0.762207D+01
      2   0.453016D+01 -0.132194D+02  0.378116D+01 -0.119420D+02 -0.294327D+01
      3  -0.127512D+02  0.958116D+01 -0.895938D+01  0.114144D+02 -0.467880D+01
      4   0.477668D+00 -0.586039D+01 -0.233067D+01 -0.144515D+02 -0.250548D+01
      5  -0.134724D+02  0.307435D+02 -0.124221D+02  0.206101D+02 -0.614016D+01
      6   0.286925D+01 -0.483917D+01  0.691439D+01 -0.130773D+02  0.384857D+01
                11            12            13            14            15 
      1  -0.322021D+01  0.129449D+01 -0.980830D+01  0.121289D+01  0.579870D+01
      2   0.132625D+01  0.167939D+01  0.736245D+01 -0.628065D+01 -0.104387D+02
      3   0.189396D+01 -0.297389D+01  0.244585D+01  0.506777D+01  0.464000D+01
      4  -0.127923D+02  0.626844D+01 -0.134515D+02  0.181973D+02  0.157833D+02
      5   0.658355D+01 -0.175127D+02  0.133755D+02  0.150509D+02  0.753834D-01
      6   0.174033D+01  0.637703D+00  0.580793D+01 -0.577420D+01 -0.549284D+01
                16            17            18            19            20 
      1  -0.286895D+01  0.546457D+01 -0.627503D+01 -0.646845D+00  0.231227D+01
      2   0.103845D+02 -0.567553D+01  0.761811D+01 -0.771896D-01  0.267554D+00
      3  -0.751553D+01  0.210965D+00 -0.134308D+01  0.724034D+00 -0.257983D+01
      4   0.132283D+02  0.152478D+02  0.719139D+01  0.166557D+01 -0.309181D+01
      5  -0.367237D+02  0.648823D+01 -0.102420D+02  0.977925D+00 -0.386369D+00
      6   0.443063D+01 -0.112279D+02  0.521214D+01  0.150924D+01 -0.181612D+01
                21            22            23            24            25 
      1   0.592904D+01  0.458696D+01 -0.655290D+01 -0.653096D+01  0.459510D+01
      2   0.759951D+00 -0.306938D+01 -0.559357D+00 -0.421743D+01 -0.300287D+01
      3  -0.668899D+01 -0.151758D+01  0.711225D+01  0.107484D+02 -0.159223D+01
      4  -0.166252D+01 -0.248969D+00  0.901545D+01  0.773813D+01 -0.150415D+01
      5  -0.269005D+01  0.389679D+01  0.594041D+01  0.114396D+02  0.548089D+01
      6  -0.138379D+01 -0.440136D+00  0.707237D+01  0.829860D+01 -0.990301D+00
                26            27            28            29            30 
      1  -0.388836D+01 -0.930997D+01  0.238002D+01 -0.321640D+01 -0.178035D+01
      2  -0.281269D+01 -0.681600D+01  0.169269D+01  0.411755D+00  0.446535D+00
      3   0.670105D+01  0.161260D+02 -0.407271D+01  0.280464D+01  0.133381D+01
      4   0.693499D+01  0.543641D+01 -0.759445D+01  0.108480D+02  0.224991D+01
      5   0.406873D+01  0.140496D+02 -0.371506D+01  0.210945D+01  0.559820D+01
      6   0.628393D+01  0.453016D+01  0.285507D+01 -0.192703D+01 -0.806423D+00
                31            32            33            34            35 
      1  -0.221500D+01 -0.975670D+01 -0.322015D+01 -0.133158D+01 -0.417952D+01
      2  -0.199063D+01  0.187338D+02  0.519636D+01 -0.403485D-02  0.349977D+01
      3   0.420562D+01 -0.897710D+01 -0.197621D+01  0.133562D+01  0.679758D+00
      4   0.126435D+02 -0.274643D+02 -0.857666D+01  0.304248D+01 -0.102029D+02
      5   0.293254D+01 -0.771094D+01 -0.772888D+01  0.712931D+01 -0.660606D+01
      6  -0.313294D+01  0.107402D+02  0.771171D+01 -0.274719D+01  0.931387D+01
                36            37            38            39            40 
      1  -0.340733D+01 -0.555140D+02  0.736219D+01  0.107311D+02  0.178819D+02
      2   0.127336D+01  0.328166D+02 -0.263580D+01  0.961472D+00 -0.109603D+02
      3   0.213397D+01  0.226974D+02 -0.472639D+01 -0.116925D+02 -0.692168D+01
      4  -0.750463D+01  0.860184D+01  0.994389D+01 -0.500994D+01  0.101494D+02
      5  -0.590035D+01  0.128124D+02 -0.744998D+01  0.150037D+02 -0.132011D+02
      6   0.656895D+01 -0.495338D+01 -0.382077D+01  0.580563D+01 -0.503033D+01
                41            42            43            44            45 
      1   0.766109D+01 -0.413503D+01  0.238510D+00 -0.260921D+01  0.251695D+02
      2  -0.152792D+02 -0.318490D+01  0.208174D+01 -0.662969D+01  0.112903D+01
      3   0.761812D+01  0.731993D+01 -0.232025D+01  0.923890D+01 -0.262986D+02
      4  -0.162625D+02 -0.164674D+02 -0.874659D+01 -0.160370D+02  0.766416D+00
      5  -0.174007D+02  0.102441D+01  0.144656D+02 -0.192687D+01  0.152189D+02
      6  -0.226947D+01  0.473782D+01  0.397117D+01  0.363122D+01  0.390310D+01
                46            47            48            49            50 
      1  -0.183092D+02  0.411889D+01  0.171693D+01  0.113185D+01 -0.784767D+01
      2   0.334888D+01 -0.317072D+01 -0.199530D+01  0.365212D+01  0.135301D+02
      3   0.149603D+02 -0.948171D+00  0.278375D+00 -0.478397D+01 -0.568239D+01
      4  -0.152636D+01  0.549273D+01 -0.825940D+00 -0.920723D+01  0.777535D+00
      5   0.909698D+01 -0.857502D+00  0.496120D+01 -0.670023D+01 -0.132660D+01
      6  -0.371148D+01 -0.556043D-02 -0.236062D+01  0.174689D+01  0.414175D+01
                51            52            53            54            55 
      1  -0.722103D+00  0.177635D+01 -0.111396D+01 -0.756645D+01  0.509972D+01
      2   0.628732D+01  0.167431D+01  0.308389D+01 -0.371541D+01 -0.190982D+00
      3  -0.556522D+01 -0.345066D+01 -0.196993D+01  0.112819D+02 -0.490874D+01
      4  -0.187656D+01 -0.408200D+01 -0.845470D+00 -0.792820D-01  0.268830D+01
      5  -0.680286D-01  0.671950D+01 -0.226720D+00  0.272804D+00  0.828689D+00
      6  -0.112612D+01 -0.116989D+01  0.481307D+01 -0.287144D+01  0.102399D+01
                56            57            58            59            60 
      1   0.329173D+01 -0.114851D+00  0.594784D+01 -0.998766D+01 -0.105367D+01
      2  -0.127363D+01 -0.480666D+00 -0.106074D+01  0.259186D+02  0.612141D+01
      3  -0.201810D+01  0.595516D+00 -0.488711D+01 -0.159310D+02 -0.506774D+01
      4   0.284052D+01  0.203681D+01  0.961709D+01  0.321049D+02  0.545775D+01
      5   0.907419D+00 -0.107003D+01 -0.155160D+01  0.630519D+01  0.852129D+01
      6   0.510155D+00 -0.117072D+01 -0.104044D+01 -0.359340D+01  0.426371D+01
                61            62            63            64            65 
      1   0.445069D+01 -0.307224D+00 -0.476343D+01 -0.316382D+00  0.952688D+00
      2  -0.201057D+01  0.578582D+01  0.348019D+01 -0.330386D+01 -0.465214D+00
      3  -0.244013D+01 -0.547859D+01  0.128324D+01  0.362024D+01 -0.487473D+00
      4   0.515226D+01  0.111014D+02  0.560549D+01 -0.129835D+01 -0.150395D+01
      5  -0.291957D+00  0.615848D+01  0.403765D+01 -0.191743D+01  0.105745D+01
      6  -0.563150D-01  0.365338D+01  0.255371D+01 -0.893373D+00  0.227444D+01
                66            67            68            69            70 
      1  -0.110151D+02 -0.165796D+01 -0.539828D+01  0.300816D+01 -0.853530D+01
      2  -0.606678D+00  0.117196D+01  0.209684D+01 -0.125664D+01  0.427642D+01
      3   0.116218D+02  0.486007D+00  0.330144D+01 -0.175152D+01  0.425889D+01
      4  -0.440299D+00  0.948023D+00  0.312181D+01 -0.341494D+01 -0.320029D+01
      5  -0.239163D+01  0.740650D+00 -0.266511D+01  0.220783D+01  0.772178D+01
      6  -0.289330D+01  0.421518D+00 -0.245385D+01  0.811896D+01  0.404166D-01
                71            72            73            74            75 
      1   0.396345D+01 -0.274823D+02  0.882381D+02 -0.484383D+01 -0.732373D+01
      2   0.122166D-01 -0.147142D+02 -0.489074D+02  0.363550D+01  0.657194D+01
      3  -0.397567D+01  0.421965D+02 -0.393307D+02  0.120833D+01  0.751788D+00
      4  -0.497183D+01  0.325032D+01  0.370015D+01  0.101761D+02 -0.488568D+00
      5   0.540208D+01 -0.347026D+02 -0.255322D+02  0.988189D+00  0.126812D+02
      6   0.749231D+01 -0.128112D+02  0.841833D+00 -0.265906D+01  0.893575D+00
                76            77            78            79            80 
      1  -0.152809D+02  0.714971D+01  0.147924D+01  0.468240D+00  0.268310D+00
      2   0.921723D+01 -0.186921D+01 -0.124608D+01  0.193337D+01  0.544180D+00
      3   0.606365D+01 -0.528049D+01 -0.233169D+00 -0.240161D+01 -0.812490D+00
      4   0.985493D+01 -0.222527D+01  0.612247D+00  0.684711D+00  0.141382D+01
      5   0.597614D+01 -0.708002D+00 -0.340987D+01  0.117572D+02 -0.542070D+00
      6  -0.249237D+01  0.133178D+01  0.771676D+00  0.509201D+00  0.873445D+00
                81            82            83            84            85 
      1   0.485543D+01  0.118511D+02  0.840156D+01  0.131799D+01 -0.125030D+01
      2  -0.538892D+01 -0.772221D+01 -0.626274D+01  0.977408D+00  0.988100D+01
      3   0.533490D+00 -0.412891D+01 -0.213882D+01 -0.229540D+01 -0.863070D+01
      4  -0.172945D+00  0.570039D+01 -0.177269D+02 -0.305877D+01  0.987148D+01
      5  -0.518467D+01 -0.266724D+01 -0.255822D+01 -0.413640D+01 -0.534023D-02
      6  -0.606408D+00 -0.560339D+00 -0.546252D-01 -0.263611D+01  0.511638D+01
                86            87            88            89            90 
      1   0.945726D+01  0.457983D+01 -0.195283D+01  0.381195D+01 -0.151065D+02
      2  -0.145023D+02 -0.577908D+01  0.408141D+01 -0.956166D+01  0.186942D+01
      3   0.504501D+01  0.119925D+01 -0.212857D+01  0.574972D+01  0.132371D+02
      4   0.144954D+02  0.209502D+01 -0.794748D+00  0.196231D+01  0.609594D+01
      5   0.210198D+01  0.138327D+00  0.392176D+01  0.518790D+01  0.351143D+01
      6  -0.850923D+01  0.407911D+01 -0.232662D+01  0.147981D+02  0.396035D+01
                91            92            93            94            95 
      1  -0.844994D+00 -0.222016D+02 -0.522128D+01  0.270466D+02  0.378042D+01
      2  -0.317054D+01  0.140386D+02  0.571937D+00 -0.242799D+02 -0.727032D+01
      3   0.401553D+01  0.816303D+01  0.464934D+01 -0.276664D+01  0.348990D+01
      4  -0.150130D+02  0.169627D+01  0.808941D+00 -0.115660D+01 -0.118762D+02
      5   0.682786D-01 -0.382195D+00  0.522447D+01 -0.581187D+01 -0.699475D+01
      6  -0.710141D+00  0.164293D+01  0.502440D+01 -0.643543D+01 -0.586116D+01
                96            97            98            99           100 
      1   0.474763D+00  0.586294D+01  0.189276D+01  0.221857D+01 -0.144814D+02
      2  -0.788185D+00 -0.882441D+01 -0.593183D+01 -0.806431D+01  0.102236D+02
      3   0.313422D+00  0.296147D+01  0.403908D+01  0.584575D+01  0.425778D+01
      4  -0.797955D+01 -0.309944D+01 -0.864991D+01  0.150471D+02  0.340554D+01
      5   0.782442D+01  0.187760D+02  0.152995D+02  0.763572D+01  0.181540D+01
      6   0.308106D+01  0.745739D+01  0.112957D+02 -0.217906D+00  0.161493D+01
               101           102           103           104           105 
      1   0.509551D+01  0.292564D+01 -0.803354D+01 -0.202726D+02 -0.744909D+01
      2  -0.389825D+01 -0.137930D+01  0.677370D+01  0.170460D+02  0.781802D+01
      3  -0.119726D+01 -0.154634D+01  0.125984D+01  0.322664D+01 -0.368931D+00
      4   0.218948D+02  0.147300D+01 -0.175086D+02  0.312882D+01  0.329349D+01
      5   0.125782D+01  0.138953D+02 -0.993607D+01  0.912994D+00 -0.132698D+01
      6  -0.265139D+00 -0.171713D+01  0.286878D+01  0.368934D+01 -0.161498D+01
               106           107           108           109           110 
      1   0.102474D+01 -0.747362D+01  0.149733D+02  0.905068D+01  0.192590D+02
      2   0.148715D+01  0.587284D+01 -0.171783D+02 -0.965269D+01 -0.121087D+02
      3  -0.251190D+01  0.160078D+01  0.220499D+01  0.602007D+00 -0.715027D+01
      4  -0.114385D+02  0.182012D+01 -0.354444D+01  0.142949D+02 -0.607005D+01
      5   0.355011D+02 -0.356221D+01 -0.243607D+01  0.440636D+01 -0.116161D+01
      6  -0.227154D+01  0.462387D+01 -0.351881D+01 -0.444998D+01  0.108626D-01
               111           112           113           114           115 
      1   0.304993D+01 -0.216970D+02  0.117091D+02  0.373147D+01 -0.423300D+01
      2  -0.291436D+00  0.189450D+02 -0.160694D+02 -0.565048D+01  0.615464D+01
      3  -0.275849D+01  0.275201D+01  0.436025D+01  0.191901D+01 -0.192164D+01
      4  -0.283535D+01  0.987670D+01  0.575451D+01  0.543439D+01 -0.897406D+00
      5  -0.267624D+00 -0.673797D-01  0.596942D+01 -0.755794D+01  0.124393D+02
      6  -0.395089D+01  0.423330D+01 -0.933548D+01  0.439217D+01 -0.661745D+01
               116           117           118           119           120 
      1   0.189276D+01 -0.577807D+01 -0.576397D+00 -0.156762D+02 -0.320441D+01
      2  -0.861233D+01 -0.342711D+01 -0.908742D-01  0.118432D+02  0.183060D+00
      3   0.671957D+01  0.920518D+01  0.667271D+00  0.383301D+01  0.302135D+01
      4   0.831240D+01 -0.144840D+02 -0.106807D+02 -0.119108D+02 -0.789731D+00
      5  -0.148050D+02 -0.794314D+01 -0.363006D+01 -0.167793D+01 -0.260705D+01
      6   0.147840D+02  0.315061D+01  0.190134D+01  0.836605D+00  0.557127D+01
               121           122           123           124           125 
      1   0.477126D+01  0.256829D+01  0.268500D+01  0.326786D+00  0.379569D+01
      2  -0.152557D+02 -0.561409D+01 -0.327993D+01 -0.599150D+01 -0.629235D+01
      3   0.104844D+02  0.304580D+01  0.594931D+00  0.566471D+01  0.249666D+01
      4   0.354522D+01 -0.134155D+02 -0.220293D+01  0.188296D+01 -0.195985D+01
      5   0.356700D+01 -0.224992D+01  0.195338D+01  0.212261D+01 -0.159736D+01
      6  -0.698907D+01 -0.461399D+01  0.373864D+01  0.581680D+01  0.112279D+02
               126           127           128           129           130 
      1  -0.144410D+02 -0.545660D+01  0.891966D+01  0.196230D+01  0.762105D+01
      2   0.173133D+01  0.694104D+01 -0.108905D+02 -0.159373D+01 -0.942612D+01
      3   0.127096D+02 -0.148445D+01  0.197088D+01 -0.368574D+00  0.180508D+01
      4  -0.284894D+01 -0.380265D+01  0.742959D+01  0.123507D+01  0.506174D+01
      5   0.812281D+00 -0.860430D+00  0.124038D+01  0.138043D+01  0.940193D+00
      6   0.426400D+00  0.209638D+01 -0.271379D+01 -0.213804D+01 -0.242587D+01
               131           132           133           134           135 
      1  -0.340099D+02 -0.654289D+01  0.148399D+01 -0.621542D+01 -0.275095D+01
      2   0.452173D+02  0.617933D+01 -0.178540D+01  0.740510D+01  0.303460D+01
      3  -0.112074D+02  0.363552D+00  0.301405D+00 -0.118967D+01 -0.283645D+00
      4   0.550225D+00  0.399403D+00  0.110456D+01  0.209756D+00 -0.132594D+01
      5   0.563145D+00  0.114631D+00  0.663880D+00 -0.612616D+00 -0.452372D+00
      6   0.107271D+02  0.789995D+01 -0.789622D+00  0.416564D+01  0.246988D+01
               136           137           138           139           140 
      1   0.223416D+02  0.143564D+02  0.244122D+01  0.886197D+01  0.355137D+01
      2  -0.428006D+01  0.598122D+00 -0.918170D+00  0.657900D+01  0.165490D+02
      3  -0.180616D+02 -0.149545D+02 -0.152305D+01 -0.154410D+02 -0.201004D+02
      4   0.337142D+02  0.306248D+02  0.413916D+01  0.338073D+02  0.443730D+02
      5   0.638830D+01  0.469180D+01  0.625063D+01  0.632517D+01  0.739948D+01
      6   0.257104D+01  0.225738D+01  0.322544D+01  0.404742D+01  0.555773D+01
               141           142           143           144           145 
      1   0.714574D+00  0.133064D+01  0.289040D+00 -0.186160D+00  0.100411D+03
      2   0.789538D+00  0.848308D+00  0.218572D+01  0.979053D+00 -0.563574D+02
      3  -0.150411D+01 -0.217894D+01 -0.247476D+01 -0.792893D+00 -0.440538D+02
      4   0.652434D+01  0.577425D+01  0.702940D+01  0.349288D+01 -0.155994D+02
      5   0.600629D+01  0.278845D+01  0.315112D+01  0.170476D+01 -0.491062D+01
      6   0.590052D+01  0.224356D+01  0.319869D+01  0.184238D+01 -0.208732D+01
               146           147           148           149           150 
      1  -0.936670D+01 -0.392985D+01 -0.843633D+01  0.101334D+02  0.149349D+01
      2   0.456454D+01  0.260122D+01  0.354118D+01 -0.472707D+01 -0.120320D+01
      3   0.480216D+01  0.132862D+01  0.489514D+01 -0.540635D+01 -0.290286D+00
      4   0.982877D+01  0.353547D+00  0.165721D+02 -0.479559D+01 -0.962923D+00
      5   0.160860D+00  0.100279D+02  0.279879D+01 -0.894256D+00 -0.131780D+01
      6  -0.235657D-02 -0.735135D+00 -0.423014D+00 -0.214181D+00  0.151019D+01
               151           152           153           154           155 
      1  -0.410675D+01  0.157294D+01  0.374190D+01  0.500460D+01 -0.471046D+01
      2   0.227938D+01 -0.842604D+00 -0.251796D+01  0.377081D+01 -0.534021D+01
      3   0.182737D+01 -0.730339D+00 -0.122393D+01 -0.877542D+01  0.100507D+02
      4   0.301591D+01 -0.109971D+01 -0.870731D+00 -0.188036D+02  0.235083D+02
      5   0.373574D+01 -0.621955D+00 -0.950861D+00 -0.357053D+01  0.392714D+01
      6  -0.311316D+00  0.710770D+00  0.217047D+00  0.267468D+01 -0.293622D+01
               156           157           158           159           160 
      1  -0.100140D+01  0.135525D+01 -0.166698D+02 -0.308626D+01  0.176040D+00
      2  -0.301517D+00 -0.120660D+02  0.391758D+02  0.499110D+01 -0.181775D+01
      3   0.130292D+01  0.107108D+02 -0.225060D+02 -0.190484D+01  0.164171D+01
      4   0.431641D+01  0.242351D+02 -0.476878D+02 -0.850598D+01  0.482056D+01
      5   0.421287D+01  0.426945D+01 -0.777554D+01 -0.573737D+01  0.188924D+01
      6  -0.258003D+01 -0.442714D+01  0.106625D+02  0.832436D+01 -0.201331D+01
               161           162           163           164           165 
      1  -0.278906D+01 -0.206513D+01 -0.342900D+01 -0.634897D+01 -0.129461D+01
      2   0.616618D+01  0.284332D+01  0.556925D+01  0.910893D+01  0.105115D+01
      3  -0.337711D+01 -0.778195D+00 -0.214025D+01 -0.275996D+01  0.243464D+00
      4  -0.912752D+01 -0.345033D+01  0.927607D+01  0.840659D+01  0.663461D+00
      5  -0.264494D+01 -0.186123D+01 -0.255817D+00  0.633813D+00  0.187665D+01
      6   0.479921D+01  0.281314D+01  0.868270D+00  0.171164D+01  0.211625D+01
               166           167           168           169           170 
      1  -0.799238D+01 -0.204161D+02 -0.325054D+01 -0.145401D+01 -0.335775D+01
      2   0.110095D+02  0.274260D+02  0.274029D+01  0.234460D+01  0.421736D+01
      3  -0.301713D+01 -0.700991D+01  0.510253D+00 -0.890595D+00 -0.859613D+00
      4   0.841155D+01  0.869111D+01  0.836344D+00  0.917529D+00  0.119283D+01
      5   0.798429D+00  0.925838D+00  0.131367D+01  0.745615D+00  0.722151D+00
      6   0.219255D+01  0.472565D+01  0.509479D+01  0.573817D+00  0.214559D+01
               171 
      1  -0.726416D+00
      2   0.143345D+01
      3  -0.707035D+00
      4   0.184683D+01
      5   0.485198D+00
      6   0.116187D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:50:38 2021, MaxMem=  5368709120 cpu:            6207.6 elap:             777.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.14209 -10.24389 -10.20004 -10.19717 -10.19660
 Alpha  occ. eigenvalues --  -10.19606 -10.19548 -10.19431 -10.18158  -1.01343
 Alpha  occ. eigenvalues --   -0.86183  -0.77835  -0.75003  -0.72622  -0.64134
 Alpha  occ. eigenvalues --   -0.61182  -0.58836  -0.53745  -0.48937  -0.48115
 Alpha  occ. eigenvalues --   -0.45537  -0.44646  -0.43109  -0.42975  -0.40207
 Alpha  occ. eigenvalues --   -0.38828  -0.37281  -0.36795  -0.35198  -0.33103
 Alpha  occ. eigenvalues --   -0.28538  -0.26647  -0.26030
 Alpha virt. eigenvalues --   -0.02413  -0.02220   0.01279   0.03223   0.03757
 Alpha virt. eigenvalues --    0.04685   0.06328   0.06393   0.07279   0.09366
 Alpha virt. eigenvalues --    0.10165   0.10756   0.11272   0.11943   0.13122
 Alpha virt. eigenvalues --    0.13591   0.14359   0.14818   0.15314   0.16024
 Alpha virt. eigenvalues --    0.16328   0.17673   0.18104   0.19095   0.20357
 Alpha virt. eigenvalues --    0.21112   0.22997   0.23268   0.23654   0.24365
 Alpha virt. eigenvalues --    0.24699   0.24857   0.26404   0.26841   0.27259
 Alpha virt. eigenvalues --    0.28721   0.29321   0.29623   0.30437   0.30784
 Alpha virt. eigenvalues --    0.31168   0.31908   0.32862   0.33179   0.34232
 Alpha virt. eigenvalues --    0.34527   0.35050   0.36109   0.36737   0.37557
 Alpha virt. eigenvalues --    0.37890   0.38065   0.38556   0.38921   0.39883
 Alpha virt. eigenvalues --    0.39991   0.40262   0.40650   0.41852   0.42000
 Alpha virt. eigenvalues --    0.42528   0.42669   0.42929   0.43751   0.44061
 Alpha virt. eigenvalues --    0.44717   0.45851   0.46525   0.47207   0.47519
 Alpha virt. eigenvalues --    0.48883   0.49420   0.49717   0.50983   0.52048
 Alpha virt. eigenvalues --    0.52538   0.54095   0.55191   0.55696   0.56389
 Alpha virt. eigenvalues --    0.57367   0.57675   0.58518   0.58708   0.59672
 Alpha virt. eigenvalues --    0.60647   0.61079   0.61618   0.62922   0.63743
 Alpha virt. eigenvalues --    0.65558   0.66229   0.66462   0.68008   0.68493
 Alpha virt. eigenvalues --    0.69912   0.70299   0.71557   0.72494   0.73732
 Alpha virt. eigenvalues --    0.74919   0.76221   0.78344   0.78487   0.80599
 Alpha virt. eigenvalues --    0.81861   0.83019   0.84265   0.85211   0.88363
 Alpha virt. eigenvalues --    0.89634   0.91397   0.93550   0.95063   0.95400
 Alpha virt. eigenvalues --    0.96005   0.97490   0.98602   0.99021   1.00553
 Alpha virt. eigenvalues --    1.02433   1.03903   1.04777   1.06126   1.06232
 Alpha virt. eigenvalues --    1.08432   1.09613   1.12184   1.13511   1.14479
 Alpha virt. eigenvalues --    1.14712   1.19298   1.19630   1.19969   1.21198
 Alpha virt. eigenvalues --    1.21887   1.23065   1.25303   1.25637   1.27431
 Alpha virt. eigenvalues --    1.28527   1.31619   1.33633   1.35165   1.37823
 Alpha virt. eigenvalues --    1.39846   1.44726   1.46714   1.48475   1.50297
 Alpha virt. eigenvalues --    1.54932   1.57712   1.58054   1.59451   1.60494
 Alpha virt. eigenvalues --    1.62531   1.62830   1.67564   1.69439   1.70726
 Alpha virt. eigenvalues --    1.72901   1.74606   1.76787   1.79213   1.80136
 Alpha virt. eigenvalues --    1.82316   1.83174   1.85313   1.87544   1.88493
 Alpha virt. eigenvalues --    1.89887   1.90211   1.92493   1.95005   1.97122
 Alpha virt. eigenvalues --    2.00276   2.00739   2.01432   2.03153   2.04368
 Alpha virt. eigenvalues --    2.05427   2.08386   2.09912   2.10510   2.11808
 Alpha virt. eigenvalues --    2.13627   2.17600   2.19138   2.20224   2.25412
 Alpha virt. eigenvalues --    2.26570   2.30366   2.32221   2.33682   2.36489
 Alpha virt. eigenvalues --    2.38327   2.39144   2.40237   2.43515   2.44665
 Alpha virt. eigenvalues --    2.46745   2.46895   2.50856   2.55333   2.56236
 Alpha virt. eigenvalues --    2.58093   2.64848   2.66340   2.68934   2.78305
 Alpha virt. eigenvalues --    2.83309   2.83766   2.85943   2.87370   2.91495
 Alpha virt. eigenvalues --    2.98992   3.01057   3.02378   3.07785   3.08298
 Alpha virt. eigenvalues --    3.09735   3.12492   3.15800   3.20486   3.21153
 Alpha virt. eigenvalues --    3.24087   3.34003   3.53650   3.70243   3.96067
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.232614   0.060153   0.228129  -0.109870   0.006565   0.019777
     2  C    0.060153   6.007352   0.142459   0.029094   0.435206   0.171086
     3  H    0.228129   0.142459   0.585108   0.007940   0.005674  -0.102497
     4  H   -0.109870   0.029094   0.007940   1.388769  -0.087036  -0.080960
     5  C    0.006565   0.435206   0.005674  -0.087036   4.106020  -0.067335
     6  C    0.019777   0.171086  -0.102497  -0.080960  -0.067335   9.546184
     7  H   -0.016399   0.192325   0.009433   0.013662   0.228019  -0.097769
     8  H    0.002937   0.052001  -0.002171  -0.001494   0.226750   0.044542
     9  H   -0.003653   0.206009  -0.001115  -0.034649   0.183691   0.007177
    10  C    0.031737  -0.581682  -0.019863  -0.055086   0.029414  -0.529863
    11  C   -0.004843   0.024762   0.001284   0.014151  -0.004351   0.440503
    12  C   -0.006081   0.073750   0.000593   0.000110   0.004292  -0.167392
    13  C   -0.013058   0.049032   0.007360   0.009163   0.000679   0.329177
    14  C   -0.036285  -0.546325  -0.023414   0.132574  -0.081645  -0.916906
    15  H    0.025074  -0.344804  -0.004986  -0.031618  -0.004720  -1.020897
    16  H   -0.001027   0.020025   0.000163  -0.000406   0.000871  -0.003755
    17  H    0.000445  -0.008546  -0.000075  -0.000107  -0.000359   0.160233
    18  H   -0.000887   0.020652  -0.000262  -0.000197   0.000371   0.079673
    19  H    0.003244  -0.319171  -0.002760   0.025304  -0.027990  -1.157282
               7          8          9         10         11         12
     1  O   -0.016399   0.002937  -0.003653   0.031737  -0.004843  -0.006081
     2  C    0.192325   0.052001   0.206009  -0.581682   0.024762   0.073750
     3  H    0.009433  -0.002171  -0.001115  -0.019863   0.001284   0.000593
     4  H    0.013662  -0.001494  -0.034649  -0.055086   0.014151   0.000110
     5  C    0.228019   0.226750   0.183691   0.029414  -0.004351   0.004292
     6  C   -0.097769   0.044542   0.007177  -0.529863   0.440503  -0.167392
     7  H    0.871957  -0.012639  -0.046914  -0.002486  -0.000246   0.000711
     8  H   -0.012639   0.864299  -0.054265   0.001662  -0.000817   0.000444
     9  H   -0.046914  -0.054265   0.846589  -0.011957  -0.000094   0.000010
    10  C   -0.002486   0.001662  -0.011957   7.958811  -0.400542   0.588789
    11  C   -0.000246  -0.000817  -0.000094  -0.400542   6.678445  -0.172545
    12  C    0.000711   0.000444   0.000010   0.588789  -0.172545   6.830190
    13  C    0.004015   0.001945  -0.000654  -0.353534   0.763473  -0.308075
    14  C    0.017158  -0.040123  -0.011762   0.107846  -0.201048   0.599486
    15  H   -0.000818   0.003729  -0.002327   0.054593  -0.463806  -0.102458
    16  H    0.000071  -0.000066   0.000017  -0.462263  -0.009318  -0.644753
    17  H   -0.000069  -0.000023  -0.000001  -0.092725  -0.440338   0.218313
    18  H    0.000123   0.000751   0.000009   0.207596  -0.098860  -0.688466
    19  H    0.014465  -0.033984  -0.007519   0.051581   0.221851  -0.045295
              13         14         15         16         17         18
     1  O   -0.013058  -0.036285   0.025074  -0.001027   0.000445  -0.000887
     2  C    0.049032  -0.546325  -0.344804   0.020025  -0.008546   0.020652
     3  H    0.007360  -0.023414  -0.004986   0.000163  -0.000075  -0.000262
     4  H    0.009163   0.132574  -0.031618  -0.000406  -0.000107  -0.000197
     5  C    0.000679  -0.081645  -0.004720   0.000871  -0.000359   0.000371
     6  C    0.329177  -0.916906  -1.020897  -0.003755   0.160233   0.079673
     7  H    0.004015   0.017158  -0.000818   0.000071  -0.000069   0.000123
     8  H    0.001945  -0.040123   0.003729  -0.000066  -0.000023   0.000751
     9  H   -0.000654  -0.011762  -0.002327   0.000017  -0.000001   0.000009
    10  C   -0.353534   0.107846   0.054593  -0.462263  -0.092725   0.207596
    11  C    0.763473  -0.201048  -0.463806  -0.009318  -0.440338  -0.098860
    12  C   -0.308075   0.599486  -0.102458  -0.644753   0.218313  -0.688466
    13  C    7.307116  -0.552672   0.232403  -0.074560  -0.454922  -0.047083
    14  C   -0.552672   7.709368   0.083832   0.179384  -0.059945  -0.470115
    15  H    0.232403   0.083832   2.616295  -0.690008   0.068424  -0.024271
    16  H   -0.074560   0.179384  -0.690008   2.961495  -0.673023   0.082176
    17  H   -0.454922  -0.059945   0.068424  -0.673023   2.601412  -0.666366
    18  H   -0.047083  -0.470115  -0.024271   0.082176  -0.666366   2.897668
    19  H   -0.539195   0.463796   0.055264  -0.022962   0.063402  -0.619117
              19
     1  O    0.003244
     2  C   -0.319171
     3  H   -0.002760
     4  H    0.025304
     5  C   -0.027990
     6  C   -1.157282
     7  H    0.014465
     8  H   -0.033984
     9  H   -0.007519
    10  C    0.051581
    11  C    0.221851
    12  C   -0.045295
    13  C   -0.539195
    14  C    0.463796
    15  H    0.055264
    16  H   -0.022962
    17  H    0.063402
    18  H   -0.619117
    19  H    2.554370
 Mulliken charges:
               1
     1  O   -0.418572
     2  C    0.316624
     3  H    0.169001
     4  H   -0.219345
     5  C    1.045883
     6  C   -0.653696
     7  H   -0.174597
     8  H   -0.053479
     9  H   -0.068592
    10  C   -0.522029
    11  C   -0.347664
    12  C   -0.181624
    13  C   -0.360612
    14  C   -0.353206
    15  H    0.551099
    16  H    0.337937
    17  H    0.284272
    18  H    0.326605
    19  H    0.321997
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.249571
     2  C    0.097278
     5  C    0.749214
     6  C   -0.653696
    10  C    0.029070
    11  C   -0.009728
    12  C    0.102648
    13  C   -0.034007
    14  C   -0.031210
 Electronic spatial extent (au):  <R**2>=           1275.5082
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1209    Y=              1.1202    Z=             -0.7271  Tot=              1.7435
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -55.1508   YY=            -51.6381   ZZ=            -57.0920
   XY=              2.7569   XZ=             -2.8824   YZ=              4.1009
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.5238   YY=              2.9889   ZZ=             -2.4651
   XY=              2.7569   XZ=             -2.8824   YZ=              4.1009
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -16.0977  YYY=             -2.0172  ZZZ=              7.6143  XYY=             -1.6444
  XXY=              4.6454  XXZ=             -6.5287  XZZ=              7.5860  YZZ=              3.1911
  YYZ=              0.0841  XYZ=              4.4062
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1178.8596 YYYY=           -339.0792 ZZZZ=           -174.4527 XXXY=              7.4286
 XXXZ=            -18.0354 YYYX=             -3.6574 YYYZ=              9.8081 ZZZX=             13.8611
 ZZZY=              3.0613 XXYY=           -251.4822 XXZZ=           -247.8574 YYZZ=            -97.7192
 XXYZ=             17.9117 YYXZ=             -0.0023 ZZXY=              6.5056
 N-N= 4.248504215648D+02 E-N=-1.744633540807D+03  KE= 3.816110409576D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:50:39 2021, MaxMem=  5368709120 cpu:               2.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.14971907D-01 4.30441933D-01-2.36946877D-01
 Polarizability= 1.20315009D+02 6.58091285D-01 9.70346880D+01
                -1.68596022D+00 5.91441758D+00 6.67553385D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.6669    0.6674        0.4550    0.4551
 2     -0.6669   -0.6674       -2.8540   -2.8533      -13.0383  -13.0443
 3     -0.4550   -0.4551       28.5072   28.5136        2.8509    2.8533
 4      2.8540    2.8533       -0.0000    0.0000       -0.4548   -0.4551
 5    -15.4689  -15.4693        0.4548    0.4551        0.6634    0.6674
 6     -2.8509   -2.8533       -0.6634   -0.6674       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.0022   -2.0022        1.3654    1.3654
 2      8.5600    8.5600       -0.0000    0.0000        1.3654    1.3654
 3      8.5600    8.5600       -2.0022   -2.0022       -0.0000    0.0000
 4     -2.0022   -2.0022       -8.5600   -8.5600      -39.1329  -39.1329
 5     -1.3654   -1.3654       85.5409   85.5409        8.5600    8.5600
 6    -46.4080  -46.4080        1.3654    1.3654        2.0022    2.0022
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0095    0.0000       -2.5717   -2.6696       -1.8317   -1.8205
 2      2.5813    2.6696       11.4015   11.4134       52.1490   52.1772
 3      1.9398    1.8205     -113.9606 -114.0545      -11.3774  -11.4134
 4    -11.3744  -11.4134        0.0172    0.0000        1.8400    1.8205
 5     61.7661   61.8774       -1.8114   -1.8205       -2.7292   -2.6696
 6     11.3711   11.4134        2.8469    2.6696       -0.0046    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0443    0.0000       -0.6303   -0.6757       -3.9499   -3.9124
 2      0.6971    0.6757       50.4248   50.4367       22.1038   21.9746
 3      4.0069    3.9124       19.3763   19.4515      -50.4842  -50.4367
 4    -50.3044  -50.4367       -0.1040    0.0000        3.9067    3.9124
 5    -41.3290  -41.4261       -4.1742   -3.9124       -0.6400   -0.6757
 6     50.2479   50.4367        0.7709    0.6757        0.1094    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -32.8115  -32.8740       -5.4079   -5.4983       -1.8600   -1.8866
 2   -108.7833 -108.9767       -2.4741   -2.4656       -1.7959   -1.8866
 3   -108.7437 -108.9767       -5.5514   -5.4983        0.6362    0.5827
 4     -2.9604   -3.0327       75.7915   76.1027       28.9071   29.0520
 5      2.4694    2.4693       33.0341   33.1710      -76.0662  -76.1027
 6    -62.0455  -62.2231       -2.9405   -2.4693        3.2079    3.0327
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0006    0.0006    0.0010    1.8448    3.3336    7.6452
 Low frequencies ---   16.5561  125.3398  198.2235
 Diagonal vibrational polarizability:
       68.2989721      24.6285691      65.0950305
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     16.5296               125.3396               198.2231
 Red. masses --      3.4791                 3.5210                 1.2501
 Frc consts  --      0.0006                 0.0326                 0.0289
 IR Inten    --      0.6745                 1.3222                90.6047
 RamAct Fr= 1--      3.7019                 4.4123                 0.6929
  Dep-P Fr= 1--      0.7477                 0.7500                 0.6441
  Dep-U Fr= 1--      0.8557                 0.8571                 0.7835
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0013
 Beta2  Fr= 1--      0.5279                 0.6303                 0.0905
 AlphaG Fr= 1--      0.0006                 0.0000                 0.0134
 Gamma2 Fr= 1--      0.0539                 0.1308                 0.6757
 Delta2 Fr= 1--      0.2046                 0.0406                 0.1783
 Raman1 Fr= 1--      14.808                 17.649                  2.772
 ROA1   Fr= 1--      11.719                 13.854                 70.571
 CID1   Fr= 1--       0.791                  0.785                 25.460
 Raman2 Fr= 1--       6.335                  7.564                  1.086
 ROA2   Fr= 1--      -0.345                  2.814                 14.790
 CID2   Fr= 1--      -0.054                  0.372                 13.620
 Raman3 Fr= 1--      12.671                 15.128                  2.172
 ROA3   Fr= 1--      11.719                 13.854                 70.571
 CID3   Fr= 1--       0.925                  0.916                 32.495
 RC180  Fr= 1--       0.711                  0.714                  0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.04   0.21   0.07     0.21  -0.09  -0.06    -0.02  -0.05   0.00
     2   6    -0.00  -0.03   0.06    -0.00  -0.01   0.04    -0.01   0.01   0.01
     3   1     0.06   0.30  -0.05     0.47  -0.01  -0.01     0.80   0.48  -0.22
     4   1    -0.00  -0.11   0.23    -0.05   0.02  -0.04    -0.05  -0.01   0.03
     5   6    -0.05  -0.16  -0.15    -0.15   0.06  -0.02     0.06  -0.04   0.01
     6   6    -0.00  -0.04   0.05    -0.01  -0.02   0.18    -0.01   0.05  -0.01
     7   1    -0.10  -0.07  -0.34    -0.05   0.02   0.09     0.10  -0.03  -0.00
     8   1    -0.07  -0.37  -0.16    -0.37   0.17   0.06     0.07  -0.02   0.01
     9   1    -0.04  -0.11  -0.11    -0.15   0.06  -0.27     0.04  -0.10   0.02
    10   6    -0.02   0.01  -0.12    -0.01  -0.02   0.15     0.01   0.04  -0.02
    11   6    -0.02   0.03  -0.17    -0.02   0.02  -0.05     0.01  -0.01  -0.00
    12   6     0.00   0.01  -0.04    -0.03   0.05  -0.20    -0.02  -0.03   0.02
    13   6     0.02  -0.03   0.13    -0.02   0.02  -0.09    -0.05  -0.01   0.01
    14   6     0.02  -0.05   0.17    -0.02  -0.01   0.11    -0.04   0.04  -0.01
    15   1    -0.03   0.02  -0.22    -0.01  -0.03   0.21     0.04   0.05  -0.03
    16   1    -0.03   0.07  -0.29    -0.02   0.03  -0.11     0.03  -0.03  -0.00
    17   1     0.00   0.03  -0.07    -0.03   0.08  -0.39    -0.03  -0.06   0.05
    18   1     0.03  -0.04   0.23    -0.03   0.04  -0.18    -0.08  -0.02   0.02
    19   1     0.03  -0.08   0.30    -0.02  -0.02   0.16    -0.07   0.06  -0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    237.2947               255.0164               326.7848
 Red. masses --      2.3018                 1.0887                 4.8379
 Frc consts  --      0.0764                 0.0417                 0.3044
 IR Inten    --     19.1597                 3.0426                10.0136
 RamAct Fr= 1--      0.6668                 0.1387                 2.5973
  Dep-P Fr= 1--      0.4450                 0.6124                 0.2280
  Dep-U Fr= 1--      0.6159                 0.7596                 0.3713
 Alpha2 Fr= 1--      0.0042                 0.0004                 0.0327
 Beta2  Fr= 1--      0.0684                 0.0176                 0.1607
 AlphaG Fr= 1--     -0.0081                 0.0012                -0.0170
 Gamma2 Fr= 1--      0.6036                 0.1031                 0.3196
 Delta2 Fr= 1--      0.3816                -0.0102                 0.1418
 Raman1 Fr= 1--       2.667                  0.555                 10.389
 ROA1   Fr= 1--      70.160                  9.572                 35.225
 CID1   Fr= 1--      26.305                 17.255                  3.390
 Raman2 Fr= 1--       0.821                  0.211                  1.929
 ROA2   Fr= 1--      11.435                  2.557                  6.537
 CID2   Fr= 1--      13.921                 12.135                  3.389
 Raman3 Fr= 1--       1.643                  0.421                  3.858
 ROA3   Fr= 1--      70.160                  9.572                 35.225
 CID3   Fr= 1--      42.709                 22.716                  9.131
 RC180  Fr= 1--       0.232                  0.519                 -0.257
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.05  -0.06  -0.04    -0.01   0.03   0.01     0.32   0.12  -0.05
     2   6    -0.01   0.03  -0.01    -0.01   0.00   0.01     0.05  -0.02   0.01
     3   1    -0.38  -0.41   0.18    -0.15  -0.06   0.04    -0.01  -0.11   0.07
     4   1    -0.16   0.02  -0.04    -0.04  -0.02   0.03     0.06  -0.02   0.03
     5   6     0.11  -0.11  -0.07     0.03  -0.04  -0.01     0.19  -0.01   0.14
     6   6    -0.00   0.13   0.06    -0.00   0.02   0.00    -0.04  -0.08  -0.01
     7   1     0.06  -0.02  -0.28     0.49  -0.14   0.31     0.21  -0.06   0.25
     8   1     0.29  -0.32  -0.14    -0.33   0.34   0.13     0.40   0.14   0.08
     9   1     0.10  -0.15   0.16    -0.05  -0.35  -0.47     0.16  -0.12   0.34
    10   6     0.06   0.08   0.05     0.01   0.02  -0.01    -0.16  -0.01  -0.08
    11   6     0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.17   0.04  -0.02
    12   6    -0.04  -0.05  -0.04    -0.00  -0.02   0.01    -0.15   0.03   0.08
    13   6    -0.11  -0.00   0.01    -0.02  -0.01   0.00    -0.08  -0.02  -0.03
    14   6    -0.09   0.10   0.07    -0.01   0.02  -0.01    -0.08  -0.07  -0.09
    15   1     0.13   0.11   0.07     0.03   0.02  -0.02    -0.25  -0.04  -0.14
    16   1     0.11  -0.07  -0.04     0.03  -0.02  -0.02    -0.18   0.05  -0.03
    17   1    -0.06  -0.11  -0.11    -0.00  -0.04   0.03    -0.14   0.05   0.19
    18   1    -0.19  -0.03   0.00    -0.04  -0.01   0.01    -0.01   0.02  -0.04
    19   1    -0.14   0.14   0.09    -0.02   0.03  -0.02    -0.08  -0.07  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    336.4176               413.5041               492.6240
 Red. masses --      3.2429                 2.9314                 3.3121
 Frc consts  --      0.2162                 0.2953                 0.4736
 IR Inten    --      4.0323                 0.0255                 6.6527
 RamAct Fr= 1--      0.3548                 0.0445                 4.3215
  Dep-P Fr= 1--      0.7123                 0.4314                 0.0767
  Dep-U Fr= 1--      0.8320                 0.6028                 0.1425
 Alpha2 Fr= 1--      0.0002                 0.0003                 0.0801
 Beta2  Fr= 1--      0.0492                 0.0045                 0.1026
 AlphaG Fr= 1--     -0.0013                 0.0039                 0.0650
 Gamma2 Fr= 1--     -0.9672                 0.2250                -0.1591
 Delta2 Fr= 1--     -0.2994                 0.0124                 0.0407
 Raman1 Fr= 1--       1.419                  0.178                 17.286
 ROA1   Fr= 1--    -102.428                 22.000                -13.968
 CID1   Fr= 1--     -72.165                123.570                 -0.808
 Raman2 Fr= 1--       0.590                  0.054                  1.231
 ROA2   Fr= 1--     -20.817                  5.302                 -4.143
 CID2   Fr= 1--     -35.256                 98.804                 -3.365
 Raman3 Fr= 1--       1.181                  0.107                  2.463
 ROA3   Fr= 1--    -102.428                 22.000                -13.968
 CID3   Fr= 1--     -86.739                205.003                 -5.672
 RC180  Fr= 1--       0.664                  0.206                 -0.715
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.12   0.09  -0.10    -0.00   0.01  -0.00     0.03   0.12  -0.15
     2   6    -0.01   0.03  -0.14    -0.00  -0.00  -0.00    -0.17  -0.12  -0.06
     3   1    -0.01   0.24  -0.23    -0.01  -0.00   0.00    -0.07   0.11  -0.20
     4   1     0.03   0.04  -0.13    -0.01  -0.00  -0.00    -0.28  -0.16  -0.02
     5   6     0.18   0.03   0.01     0.01  -0.00   0.00    -0.12  -0.12   0.18
     6   6    -0.02  -0.05  -0.03    -0.00   0.00  -0.00    -0.06   0.05   0.04
     7   1     0.30  -0.02   0.14     0.01  -0.01   0.01    -0.23  -0.24   0.42
     8   1     0.33   0.23  -0.03    -0.00   0.01   0.00     0.16   0.14   0.10
     9   1     0.14  -0.15   0.12     0.00  -0.01  -0.01    -0.12  -0.11   0.45
    10   6    -0.04  -0.07   0.15    -0.00   0.04  -0.21     0.05   0.01  -0.00
    11   6    -0.04  -0.01   0.06     0.01  -0.04   0.21     0.07  -0.05  -0.03
    12   6    -0.02   0.04  -0.16    -0.00  -0.00  -0.00     0.12  -0.04   0.01
    13   6     0.02  -0.03   0.07    -0.01   0.04  -0.20     0.04   0.03  -0.01
    14   6     0.01  -0.08   0.15     0.01  -0.04   0.21     0.04   0.10   0.01
    15   1    -0.06  -0.11   0.26    -0.01   0.09  -0.44     0.16   0.06  -0.02
    16   1    -0.06  -0.00   0.09     0.01  -0.09   0.45     0.06  -0.03  -0.05
    17   1    -0.02   0.11  -0.38    -0.00  -0.00   0.00     0.12  -0.06   0.02
    18   1     0.05  -0.02   0.11    -0.01   0.08  -0.43    -0.05   0.00  -0.04
    19   1     0.05  -0.12   0.25     0.02  -0.08   0.46     0.05   0.09  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    543.1271               607.1570               638.6029
 Red. masses --      3.0795                 3.2153                 6.3389
 Frc consts  --      0.5352                 0.6983                 1.5231
 IR Inten    --      9.3841                15.1904                 0.0910
 RamAct Fr= 1--      0.5319                 1.2532                 4.4632
  Dep-P Fr= 1--      0.7214                 0.7234                 0.7334
  Dep-U Fr= 1--      0.8381                 0.8395                 0.8462
 Alpha2 Fr= 1--      0.0003                 0.0006                 0.0013
 Beta2  Fr= 1--      0.0743                 0.1753                 0.6295
 AlphaG Fr= 1--     -0.0009                 0.0023                 0.0043
 Gamma2 Fr= 1--     -0.2532                 0.0740                 0.0970
 Delta2 Fr= 1--     -0.1144                 0.0648                -0.0040
 Raman1 Fr= 1--       2.127                  5.013                 17.853
 ROA1   Fr= 1--     -27.967                  9.179                  9.181
 CID1   Fr= 1--     -13.146                  1.831                  0.514
 Raman2 Fr= 1--       0.892                  2.104                  7.553
 ROA2   Fr= 1--      -5.161                  1.259                  2.360
 CID2   Fr= 1--      -5.789                  0.598                  0.312
 Raman3 Fr= 1--       1.783                  4.208                 15.107
 ROA3   Fr= 1--     -27.967                  9.179                  9.181
 CID3   Fr= 1--     -15.684                  2.181                  0.608
 RC180  Fr= 1--       0.676                  0.679                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.08  -0.01  -0.05     0.08  -0.03   0.02    -0.01   0.00  -0.02
     2   6    -0.07   0.12  -0.01    -0.15   0.19   0.10     0.02  -0.03  -0.02
     3   1     0.03   0.01   0.00     0.20  -0.17   0.29    -0.04   0.02  -0.06
     4   1    -0.07   0.16  -0.10    -0.14   0.22   0.03     0.04  -0.04  -0.00
     5   6     0.07   0.05  -0.05    -0.00   0.01   0.00    -0.01  -0.04   0.02
     6   6    -0.05  -0.07   0.25    -0.15  -0.00  -0.09    -0.00  -0.13  -0.02
     7   1     0.26   0.13  -0.18     0.29   0.15  -0.24    -0.05  -0.06   0.07
     8   1     0.19  -0.02  -0.10     0.05  -0.17  -0.03    -0.01   0.01   0.02
     9   1     0.02  -0.19   0.06    -0.08  -0.32   0.07    -0.01  -0.01   0.02
    10   6    -0.01  -0.08   0.03    -0.03  -0.14  -0.09     0.21  -0.21  -0.04
    11   6    -0.01  -0.01  -0.12    -0.00  -0.10   0.05     0.29   0.21   0.03
    12   6     0.07  -0.03   0.17     0.15   0.02  -0.10     0.00   0.14   0.03
    13   6     0.04   0.04  -0.12     0.05   0.07   0.08    -0.22   0.26   0.05
    14   6     0.02  -0.03   0.04    -0.00   0.03  -0.05    -0.26  -0.17  -0.02
    15   1    -0.00  -0.02  -0.24     0.06  -0.13   0.06     0.05  -0.27  -0.07
    16   1    -0.08   0.10  -0.43    -0.14  -0.03   0.28     0.18   0.30   0.03
    17   1     0.07  -0.01   0.20     0.15   0.02  -0.06    -0.06  -0.28  -0.06
    18   1     0.02   0.10  -0.44    -0.02   0.01   0.28    -0.06   0.33   0.04
    19   1     0.09  -0.03  -0.24     0.16  -0.11   0.07    -0.15  -0.25  -0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    711.6872               767.4278               789.4734
 Red. masses --      1.6933                 3.0851                 2.2557
 Frc consts  --      0.5053                 1.0705                 0.8284
 IR Inten    --     47.7269                23.3696                10.1280
 RamAct Fr= 1--      0.1445                12.4749                 3.3809
  Dep-P Fr= 1--      0.6537                 0.0387                 0.0979
  Dep-U Fr= 1--      0.7906                 0.0746                 0.1783
 Alpha2 Fr= 1--      0.0002                 0.2531                 0.0595
 Beta2  Fr= 1--      0.0190                 0.1550                 0.1005
 AlphaG Fr= 1--     -0.0008                 0.0215                -0.0194
 Gamma2 Fr= 1--     -0.0421                -0.9885                -0.5991
 Delta2 Fr= 1--     -0.0360                -0.4826                -0.0505
 Raman1 Fr= 1--       0.578                 49.900                 13.523
 ROA1   Fr= 1--      -5.195               -110.337                -59.126
 CID1   Fr= 1--      -8.988                 -2.211                 -4.372
 Raman2 Fr= 1--       0.228                  1.860                  1.206
 ROA2   Fr= 1--      -0.723                -19.862                -13.974
 CID2   Fr= 1--      -3.164                -10.678                -11.589
 Raman3 Fr= 1--       0.457                  3.720                  2.412
 ROA3   Fr= 1--      -5.195               -110.337                -59.126
 CID3   Fr= 1--     -11.369                -29.658                -24.518
 RC180  Fr= 1--       0.581                 -0.851                 -0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01  -0.00   0.00     0.03  -0.01   0.09    -0.03  -0.00   0.01
     2   6    -0.00   0.00   0.00     0.10  -0.12  -0.05     0.05  -0.08  -0.03
     3   1     0.01  -0.02   0.02    -0.06   0.06  -0.07    -0.10   0.07  -0.13
     4   1     0.01   0.00   0.01     0.11  -0.16   0.06     0.02  -0.10  -0.01
     5   6     0.00  -0.00   0.00     0.07   0.03  -0.06     0.06   0.04  -0.06
     6   6    -0.01   0.02  -0.10    -0.09   0.03  -0.11    -0.02  -0.04   0.22
     7   1    -0.01  -0.00   0.00    -0.19  -0.07   0.11    -0.07  -0.03   0.07
     8   1    -0.01   0.00   0.01    -0.03   0.15  -0.01     0.08   0.16  -0.06
     9   1     0.00   0.00  -0.01     0.15   0.35  -0.17     0.09   0.19  -0.05
    10   6    -0.00  -0.02   0.06    -0.06  -0.11   0.04    -0.02  -0.02  -0.08
    11   6    -0.01   0.02  -0.14    -0.07  -0.13  -0.03    -0.02  -0.05  -0.00
    12   6     0.01  -0.01   0.07     0.14  -0.04   0.07     0.04   0.02  -0.13
    13   6    -0.01   0.04  -0.14    -0.06   0.16   0.03    -0.03   0.06   0.02
    14   6    -0.00  -0.01   0.07    -0.04   0.14   0.09    -0.02   0.07  -0.07
    15   1     0.02  -0.10   0.50     0.03  -0.06  -0.07     0.01  -0.02  -0.02
    16   1    -0.01  -0.04   0.22    -0.24   0.05  -0.32    -0.06  -0.10   0.47
    17   1     0.02  -0.11   0.55     0.12   0.02  -0.34     0.06  -0.13   0.52
    18   1    -0.00  -0.04   0.23    -0.28   0.14  -0.31    -0.09  -0.06   0.47
    19   1     0.02  -0.09   0.50     0.02   0.12  -0.04     0.00   0.05  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    855.8034               904.5879               929.3942
 Red. masses --      1.2486                 2.3693                 1.4970
 Frc consts  --      0.5388                 1.1423                 0.7619
 IR Inten    --      0.0318                19.4717                 7.1707
 RamAct Fr= 1--      1.1731                 5.3097                 1.6946
  Dep-P Fr= 1--      0.7229                 0.5512                 0.6927
  Dep-U Fr= 1--      0.8392                 0.7107                 0.8185
 Alpha2 Fr= 1--      0.0005                 0.0202                 0.0017
 Beta2  Fr= 1--      0.1641                 0.6289                 0.2312
 AlphaG Fr= 1--     -0.0037                -0.0031                -0.0076
 Gamma2 Fr= 1--      0.0353                 1.3851                 0.2317
 Delta2 Fr= 1--     -0.0105                 1.9405                 0.1427
 Raman1 Fr= 1--       4.692                 21.239                  6.778
 ROA1   Fr= 1--       3.054                195.066                 26.813
 CID1   Fr= 1--       0.651                  9.184                  3.956
 Raman2 Fr= 1--       1.969                  7.547                  2.774
 ROA2   Fr= 1--       0.932                 17.719                  4.419
 CID2   Fr= 1--       0.473                  2.348                  1.593
 Raman3 Fr= 1--       3.938                 15.093                  5.548
 ROA3   Fr= 1--       3.054                195.066                 26.813
 CID3   Fr= 1--       0.776                 12.924                  4.833
 RC180  Fr= 1--       0.678                  0.421                  0.637
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00  -0.00     0.06  -0.03   0.17     0.02  -0.01   0.04
     2   6     0.00  -0.00   0.00    -0.16  -0.05  -0.09    -0.02   0.01  -0.03
     3   1    -0.00   0.00  -0.01     0.05   0.01   0.12     0.02  -0.00   0.04
     4   1     0.00   0.01  -0.01    -0.24  -0.14   0.11     0.00   0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.07  -0.16    -0.02  -0.01   0.00
     6   6    -0.00  -0.00  -0.00    -0.03   0.00  -0.00    -0.00   0.02  -0.09
     7   1     0.01   0.01  -0.01    -0.00  -0.11   0.23     0.00  -0.01   0.01
     8   1     0.00  -0.01  -0.00     0.45   0.56  -0.28     0.02   0.01  -0.01
     9   1    -0.00  -0.00   0.00    -0.02  -0.01   0.24    -0.02  -0.03   0.03
    10   6    -0.00   0.01  -0.08     0.02   0.03  -0.01     0.00  -0.02   0.10
    11   6    -0.00   0.01  -0.07     0.05   0.05   0.01     0.00   0.01  -0.01
    12   6    -0.00   0.00  -0.00    -0.02  -0.00   0.02    -0.00   0.02  -0.10
    13   6     0.00  -0.01   0.07     0.03  -0.05  -0.01     0.00  -0.00  -0.01
    14   6     0.00  -0.01   0.08     0.00  -0.03  -0.02     0.00  -0.02   0.11
    15   1     0.02  -0.09   0.51     0.02   0.02   0.10    -0.02   0.10  -0.54
    16   1     0.01  -0.09   0.46     0.11   0.01  -0.01     0.01  -0.00   0.01
    17   1    -0.00  -0.00   0.01    -0.02   0.01  -0.12     0.01  -0.11   0.58
    18   1    -0.01   0.09  -0.47     0.09  -0.02  -0.04     0.01  -0.01   0.01
    19   1    -0.02   0.09  -0.50     0.01  -0.06   0.08    -0.02   0.10  -0.54
                     19                     20                     21
                      A                      A                      A
 Frequencies --    961.2954               977.1083              1015.6811
 Red. masses --      1.3609                 1.2368                 1.9464
 Frc consts  --      0.7410                 0.6957                 1.1831
 IR Inten    --      0.0291                 0.5451                33.5969
 RamAct Fr= 1--      0.0923                 0.0984                30.0599
  Dep-P Fr= 1--      0.1990                 0.5662                 0.0887
  Dep-U Fr= 1--      0.3319                 0.7230                 0.1629
 Alpha2 Fr= 1--      0.0013                 0.0003                 0.5410
 Beta2  Fr= 1--      0.0051                 0.0119                 0.8162
 AlphaG Fr= 1--     -0.0125                 0.0021                -0.1462
 Gamma2 Fr= 1--     -0.3179                 0.0882                -0.0404
 Delta2 Fr= 1--      0.0760                 0.0257                 0.6074
 Raman1 Fr= 1--       0.369                  0.394                120.239
 ROA1   Fr= 1--     -28.088                  9.289                 15.562
 CID1   Fr= 1--     -76.076                 23.590                  0.129
 Raman2 Fr= 1--       0.061                  0.142                  9.794
 ROA2   Fr= 1--      -8.238                  1.911                 -5.828
 CID2   Fr= 1--    -134.439                 13.428                 -0.595
 Raman3 Fr= 1--       0.123                  0.285                 19.588
 ROA3   Fr= 1--     -28.088                  9.289                 15.562
 CID3   Fr= 1--    -229.202                 32.628                  0.794
 RC180  Fr= 1--      -0.336                  0.446                 -0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.03   0.01  -0.09
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.01    -0.04   0.01   0.14
     3   1    -0.01   0.01  -0.01     0.00  -0.01   0.01     0.12  -0.14   0.21
     4   1     0.01   0.00  -0.01    -0.01  -0.01   0.01    -0.34  -0.13   0.31
     5   6    -0.00   0.00   0.00     0.01   0.00  -0.00     0.12  -0.02  -0.05
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.05   0.03  -0.01
     7   1     0.01   0.01  -0.00    -0.01  -0.00   0.01    -0.32  -0.14   0.15
     8   1     0.01  -0.01  -0.00    -0.00   0.01  -0.00    -0.13   0.16   0.05
     9   1    -0.01  -0.01   0.01     0.01   0.02  -0.01     0.24   0.51  -0.21
    10   6    -0.00   0.01  -0.08     0.00   0.01  -0.04    -0.03   0.06   0.02
    11   6     0.00  -0.02   0.09     0.00  -0.01   0.08     0.02   0.02   0.00
    12   6    -0.00  -0.00   0.01    -0.00   0.02  -0.08     0.09   0.00  -0.00
    13   6    -0.00   0.02  -0.09     0.00  -0.01   0.07     0.03  -0.05  -0.01
    14   6     0.00  -0.01   0.09    -0.00   0.00  -0.03    -0.07  -0.11  -0.00
    15   1     0.02  -0.08   0.44     0.01  -0.05   0.29    -0.00   0.08  -0.03
    16   1    -0.02   0.09  -0.47    -0.02   0.11  -0.53    -0.01   0.04   0.02
    17   1    -0.01   0.01  -0.04     0.02  -0.10   0.54     0.10   0.05   0.00
    18   1     0.02  -0.10   0.54    -0.01   0.09  -0.46     0.09  -0.04   0.03
    19   1    -0.01   0.09  -0.48     0.01  -0.05   0.25    -0.07  -0.09  -0.12
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1027.9852              1054.3369              1077.6338
 Red. masses --      4.3642                 2.2617                 2.6523
 Frc consts  --      2.7173                 1.4813                 1.8147
 IR Inten    --      7.4611                10.7694                26.4820
 RamAct Fr= 1--     26.8755                21.0051                 5.1461
  Dep-P Fr= 1--      0.0603                 0.0563                 0.7453
  Dep-U Fr= 1--      0.1137                 0.1065                 0.8541
 Alpha2 Fr= 1--      0.5180                 0.4088                 0.0004
 Beta2  Fr= 1--      0.5091                 0.3729                 0.7325
 AlphaG Fr= 1--      0.0672                 0.0073                 0.0059
 Gamma2 Fr= 1--      0.0555                 0.3704                -0.4668
 Delta2 Fr= 1--      0.3332                 0.0494                -1.6904
 Raman1 Fr= 1--     107.502                 84.021                 20.585
 ROA1   Fr= 1--      15.990                 37.141                -98.910
 CID1   Fr= 1--       0.149                  0.442                 -4.805
 Raman2 Fr= 1--       6.109                  4.475                  8.790
 ROA2   Fr= 1--      -1.334                  8.495                  2.319
 CID2   Fr= 1--      -0.218                  1.898                  0.264
 Raman3 Fr= 1--      12.218                  8.949                 17.580
 ROA3   Fr= 1--      15.990                 37.141                -98.910
 CID3   Fr= 1--       1.309                  4.150                 -5.626
 RC180  Fr= 1--      -0.773                 -0.787                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.02  -0.01   0.06     0.02  -0.00   0.02    -0.02   0.01  -0.09
     2   6     0.04  -0.02  -0.09    -0.00  -0.02  -0.03    -0.04  -0.19   0.19
     3   1    -0.11   0.11  -0.18    -0.07   0.06  -0.12    -0.02  -0.01  -0.07
     4   1     0.18   0.08  -0.23     0.04   0.02  -0.11     0.13  -0.15   0.17
     5   6    -0.06   0.02   0.04     0.01   0.02   0.03     0.01   0.15  -0.03
     6   6     0.04  -0.02   0.01    -0.04  -0.00   0.00    -0.04  -0.05  -0.06
     7   1     0.21   0.12  -0.13     0.05   0.08  -0.11     0.37   0.29  -0.26
     8   1     0.05  -0.15  -0.01    -0.07  -0.13   0.05     0.19   0.00  -0.11
     9   1    -0.15  -0.32   0.10     0.00  -0.03  -0.08    -0.06  -0.15   0.03
    10   6    -0.11   0.30   0.05    -0.06  -0.05  -0.01    -0.05   0.06   0.03
    11   6    -0.03  -0.05  -0.01     0.07   0.19   0.04     0.07   0.04   0.01
    12   6     0.28  -0.05  -0.02     0.13  -0.02  -0.01    -0.03  -0.06  -0.01
    13   6    -0.03   0.08   0.02     0.00  -0.19  -0.04    -0.03   0.05   0.01
    14   6    -0.17  -0.22  -0.04    -0.03   0.08   0.01     0.08   0.04   0.02
    15   1    -0.09   0.31   0.10    -0.38  -0.17  -0.01    -0.22   0.02  -0.06
    16   1     0.03  -0.08  -0.03    -0.20   0.40   0.08     0.25  -0.09  -0.03
    17   1     0.29  -0.10  -0.02     0.14  -0.06  -0.02    -0.07  -0.39  -0.06
    18   1    -0.05   0.06   0.01    -0.36  -0.34  -0.06    -0.17   0.00   0.00
    19   1    -0.10  -0.29  -0.02    -0.27   0.25   0.07     0.29  -0.11  -0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1090.3171              1121.3604              1185.8674
 Red. masses --      1.7098                 1.6908                 1.1182
 Frc consts  --      1.1976                 1.2527                 0.9265
 IR Inten    --     54.8284                 2.7275                 0.0557
 RamAct Fr= 1--      1.1455                 1.4216                 3.7415
  Dep-P Fr= 1--      0.6756                 0.7355                 0.7438
  Dep-U Fr= 1--      0.8064                 0.8476                 0.8531
 Alpha2 Fr= 1--      0.0015                 0.0004                 0.0004
 Beta2  Fr= 1--      0.1540                 0.2008                 0.5319
 AlphaG Fr= 1--      0.0060                 0.0034                 0.0014
 Gamma2 Fr= 1--     -0.4522                 2.1991                 0.1918
 Delta2 Fr= 1--     -0.4010                 0.4771                -0.0622
 Raman1 Fr= 1--       4.582                  5.686                 14.966
 ROA1   Fr= 1--     -56.241                226.379                 16.422
 CID1   Fr= 1--     -12.275                 39.811                  1.097
 Raman2 Fr= 1--       1.847                  2.410                  6.383
 ROA2   Fr= 1--      -7.644                 48.960                  5.101
 CID2   Fr= 1--      -4.138                 20.316                  0.799
 Raman3 Fr= 1--       3.695                  4.820                 12.767
 ROA3   Fr= 1--     -56.241                226.379                 16.422
 CID3   Fr= 1--     -15.222                 46.969                  1.286
 RC180  Fr= 1--       0.613                  0.695                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.05  -0.00  -0.06     0.01  -0.00  -0.02     0.00  -0.00  -0.00
     2   6     0.10   0.05   0.09    -0.02  -0.12   0.08     0.01   0.00   0.00
     3   1     0.16  -0.15   0.27    -0.11   0.07  -0.20    -0.01   0.01  -0.02
     4   1     0.26   0.00   0.25    -0.01  -0.08  -0.01    -0.01   0.00  -0.00
     5   6    -0.10  -0.04  -0.08    -0.01   0.08  -0.01    -0.00  -0.00  -0.00
     6   6     0.10  -0.02  -0.01     0.00   0.04  -0.02    -0.00   0.00  -0.00
     7   1     0.04  -0.18   0.28     0.22   0.18  -0.16     0.01  -0.00   0.00
     8   1     0.31   0.31  -0.19     0.10  -0.04  -0.05     0.01   0.01  -0.00
     9   1    -0.14  -0.22   0.36    -0.06  -0.15   0.01    -0.00   0.00   0.01
    10   6    -0.00  -0.01  -0.00     0.09  -0.04  -0.00    -0.01  -0.01  -0.00
    11   6    -0.04   0.00   0.00    -0.05  -0.04  -0.01     0.04  -0.03  -0.01
    12   6     0.05  -0.00  -0.00     0.01   0.07   0.01     0.01   0.07   0.01
    13   6    -0.03   0.00   0.00     0.04  -0.05  -0.01    -0.04  -0.02  -0.00
    14   6    -0.02   0.02   0.01    -0.10  -0.01   0.00     0.01  -0.01  -0.00
    15   1    -0.11  -0.06  -0.02     0.45   0.11  -0.03    -0.18  -0.08  -0.01
    16   1    -0.19   0.11   0.03    -0.21   0.08   0.02     0.40  -0.30  -0.07
    17   1     0.06   0.03   0.00     0.07   0.48   0.10     0.09   0.65   0.13
    18   1    -0.17  -0.06  -0.00     0.22   0.01  -0.01    -0.44  -0.17  -0.02
    19   1    -0.17   0.15   0.01    -0.37   0.19   0.04     0.13  -0.10  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1208.6295              1229.9690              1254.8482
 Red. masses --      1.1338                 1.9998                 1.6801
 Frc consts  --      0.9759                 1.7824                 1.5587
 IR Inten    --      0.1525                19.0416                 9.7728
 RamAct Fr= 1--      5.3741                20.2285                15.2419
  Dep-P Fr= 1--      0.5662                 0.1144                 0.0648
  Dep-U Fr= 1--      0.7230                 0.2054                 0.1218
 Alpha2 Fr= 1--      0.0187                 0.3418                 0.2906
 Beta2  Fr= 1--      0.6476                 0.6925                 0.3093
 AlphaG Fr= 1--      0.0088                -0.0412                 0.0470
 Gamma2 Fr= 1--     -0.0244                -1.1728                -2.4999
 Delta2 Fr= 1--      0.0411                -0.4469                 0.4295
 Raman1 Fr= 1--      21.497                 80.914                 60.968
 ROA1   Fr= 1--      -1.026               -126.891               -226.244
 CID1   Fr= 1--      -0.048                 -1.568                 -3.711
 Raman2 Fr= 1--       7.771                  8.309                  3.712
 ROA2   Fr= 1--      -0.914                -24.572                -63.433
 CID2   Fr= 1--      -0.118                 -2.957                -17.090
 Raman3 Fr= 1--      15.543                 16.619                  7.423
 ROA3   Fr= 1--      -1.026               -126.891               -226.244
 CID3   Fr= 1--      -0.066                 -7.635                -30.477
 RC180  Fr= 1--       0.446                 -0.589                 -0.756
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00     0.01  -0.01   0.01    -0.02   0.04  -0.00
     2   6     0.00  -0.00  -0.00    -0.09   0.01   0.04    -0.12  -0.06  -0.12
     3   1     0.00   0.00   0.00    -0.12   0.10  -0.22     0.36  -0.24   0.61
     4   1     0.01   0.00  -0.01    -0.71  -0.05  -0.08     0.25  -0.17   0.27
     5   6    -0.00  -0.00   0.00     0.02   0.03   0.01     0.05   0.04   0.05
     6   6    -0.01   0.00   0.00     0.24   0.03  -0.02     0.08  -0.09   0.01
     7   1     0.00  -0.00   0.00     0.00   0.07  -0.08    -0.04   0.11  -0.15
     8   1    -0.00   0.01   0.00    -0.03  -0.01   0.02    -0.12  -0.15   0.08
     9   1     0.01   0.03   0.01     0.01   0.02  -0.04     0.03  -0.02  -0.19
    10   6     0.05   0.02   0.00     0.01  -0.03  -0.00     0.04   0.03   0.00
    11   6    -0.03   0.03   0.01    -0.05  -0.05  -0.01    -0.04  -0.00   0.00
    12   6    -0.01   0.00   0.00     0.02   0.01   0.00     0.01  -0.01  -0.00
    13   6    -0.05  -0.02  -0.00    -0.07   0.05   0.01    -0.00   0.04   0.01
    14   6     0.05  -0.03  -0.01     0.06  -0.04  -0.01    -0.01   0.02   0.00
    15   1     0.47   0.19   0.02    -0.36  -0.19  -0.03     0.04   0.02   0.02
    16   1    -0.36   0.28   0.07    -0.28   0.11   0.03    -0.02  -0.02   0.00
    17   1    -0.01   0.01   0.00    -0.00  -0.08  -0.01     0.02   0.10   0.02
    18   1    -0.46  -0.19  -0.02    -0.20   0.00   0.01    -0.17  -0.03   0.01
    19   1     0.42  -0.31  -0.07    -0.06   0.06   0.00    -0.17   0.15   0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1331.4029              1356.6980              1388.0265
 Red. masses --      2.6409                 1.8457                 1.3115
 Frc consts  --      2.7582                 2.0016                 1.4887
 IR Inten    --     15.4832                 4.6040                 4.1973
 RamAct Fr= 1--      0.7018                 0.6797                 3.0581
  Dep-P Fr= 1--      0.5752                 0.7157                 0.4370
  Dep-U Fr= 1--      0.7303                 0.8343                 0.6083
 Alpha2 Fr= 1--      0.0023                 0.0004                 0.0197
 Beta2  Fr= 1--      0.0854                 0.0945                 0.3100
 AlphaG Fr= 1--     -0.0145                 0.0009                 0.0010
 Gamma2 Fr= 1--      0.7361                 0.5221                -1.4908
 Delta2 Fr= 1--      0.2436                -0.2654                -0.6076
 Raman1 Fr= 1--       2.807                  2.719                 12.232
 ROA1   Fr= 1--      78.464                 41.627               -162.563
 CID1   Fr= 1--      27.950                 15.311                -13.290
 Raman2 Fr= 1--       1.025                  1.134                  3.720
 ROA2   Fr= 1--      15.718                 14.654                -30.920
 CID2   Fr= 1--      15.333                 12.921                 -8.311
 Raman3 Fr= 1--       2.050                  2.268                  7.440
 ROA3   Fr= 1--      78.464                 41.627               -162.563
 CID3   Fr= 1--      38.269                 18.352                -21.849
 RC180  Fr= 1--       0.461                  0.669                  0.217
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.02  -0.01     0.01  -0.00   0.00     0.00  -0.02  -0.00
     2   6     0.09  -0.06  -0.10    -0.06   0.01   0.03     0.09   0.05  -0.05
     3   1     0.20  -0.14   0.34    -0.03   0.03  -0.06    -0.08   0.03  -0.12
     4   1    -0.11  -0.32   0.38     0.25   0.14  -0.14    -0.49  -0.31   0.51
     5   6    -0.04   0.06   0.04     0.03  -0.01  -0.02    -0.01   0.06   0.01
     6   6    -0.02   0.22   0.05     0.02  -0.01  -0.00    -0.03  -0.06  -0.01
     7   1     0.15   0.11  -0.05    -0.11  -0.05   0.03     0.01   0.01   0.09
     8   1     0.07  -0.19  -0.01    -0.06   0.05   0.01    -0.06  -0.21   0.02
     9   1    -0.10  -0.18  -0.03     0.03   0.00   0.01    -0.08  -0.21   0.08
    10   6    -0.10  -0.06  -0.01    -0.13  -0.03  -0.00    -0.01  -0.01  -0.00
    11   6     0.11  -0.08  -0.02     0.06  -0.04  -0.01    -0.03   0.04   0.01
    12   6     0.01   0.10   0.02     0.02   0.13   0.03    -0.00   0.01   0.00
    13   6    -0.11  -0.08  -0.01    -0.07  -0.01   0.00     0.06   0.02   0.00
    14   6     0.05  -0.07  -0.01     0.13  -0.07  -0.02    -0.00  -0.00  -0.00
    15   1    -0.13  -0.08   0.00     0.48   0.22   0.03     0.24   0.09   0.02
    16   1    -0.21   0.16   0.04     0.14  -0.10  -0.02     0.21  -0.15  -0.04
    17   1    -0.01  -0.06  -0.01    -0.05  -0.32  -0.06    -0.03  -0.17  -0.03
    18   1     0.35   0.10   0.01    -0.19  -0.05  -0.00    -0.21  -0.09  -0.01
    19   1     0.20  -0.18  -0.03    -0.44   0.36   0.08    -0.14   0.10   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1409.8979              1412.3693              1489.1476
 Red. masses --      1.2629                 1.2098                 1.1291
 Frc consts  --      1.4790                 1.4219                 1.4752
 IR Inten    --     14.4930                51.3750                 2.6136
 RamAct Fr= 1--      0.3824                 3.7522                 3.7417
  Dep-P Fr= 1--      0.7015                 0.7129                 0.6788
  Dep-U Fr= 1--      0.8246                 0.8324                 0.8086
 Alpha2 Fr= 1--      0.0003                 0.0024                 0.0047
 Beta2  Fr= 1--      0.0525                 0.5205                 0.5043
 AlphaG Fr= 1--      0.0007                -0.0059                -0.0304
 Gamma2 Fr= 1--     -0.2560                 2.1032                 1.5163
 Delta2 Fr= 1--      0.0833                 0.4102                -0.4642
 Raman1 Fr= 1--       1.529                 15.009                 14.967
 ROA1   Fr= 1--     -21.906                215.039                130.714
 CID1   Fr= 1--     -14.323                 14.327                  8.734
 Raman2 Fr= 1--       0.631                  6.247                  6.051
 ROA2   Fr= 1--      -6.809                 47.196                 40.105
 CID2   Fr= 1--     -10.798                  7.555                  6.627
 Raman3 Fr= 1--       1.261                 12.493                 12.103
 ROA3   Fr= 1--     -21.906                215.039                130.714
 CID3   Fr= 1--     -17.370                 17.213                 10.800
 RC180  Fr= 1--       0.649                  0.665                  0.617
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.01  -0.00     0.03  -0.05  -0.01    -0.01   0.01   0.00
     2   6     0.02   0.03  -0.02    -0.08   0.06  -0.01     0.03  -0.03  -0.01
     3   1    -0.04   0.01  -0.06    -0.25   0.13  -0.41     0.04  -0.03   0.09
     4   1    -0.03  -0.07   0.20     0.47  -0.12   0.62    -0.06  -0.03  -0.06
     5   6    -0.08  -0.09   0.08     0.03  -0.01  -0.00     0.03  -0.03  -0.01
     6   6     0.00  -0.01   0.00     0.02   0.01   0.01     0.01   0.04   0.01
     7   1     0.28   0.19  -0.41    -0.12   0.01  -0.07    -0.11   0.18  -0.47
     8   1     0.44   0.37  -0.08    -0.17   0.08   0.07    -0.40   0.52   0.17
     9   1     0.05   0.39  -0.37     0.01  -0.06   0.08    -0.01  -0.15   0.41
    10   6    -0.01  -0.00  -0.00     0.01   0.01   0.00     0.01  -0.02  -0.00
    11   6    -0.01   0.01   0.00     0.02  -0.02  -0.00    -0.04   0.01   0.00
    12   6     0.00   0.01   0.00    -0.00  -0.01  -0.00     0.01   0.03   0.01
    13   6     0.01   0.00  -0.00    -0.03  -0.00  -0.00     0.03  -0.01  -0.00
    14   6     0.00  -0.00  -0.00     0.01   0.00   0.00    -0.03  -0.00   0.00
    15   1     0.06   0.02   0.01    -0.11  -0.03   0.00     0.01  -0.03  -0.01
    16   1     0.05  -0.04  -0.01    -0.11   0.08   0.02     0.10  -0.09  -0.02
    17   1    -0.01  -0.06  -0.01     0.01   0.09   0.02    -0.02  -0.16  -0.03
    18   1    -0.05  -0.02  -0.00     0.09   0.04   0.00    -0.05  -0.05  -0.01
    19   1    -0.06   0.04   0.02     0.06  -0.04  -0.01     0.04  -0.06  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1493.2073              1497.1892              1535.4642
 Red. masses --      1.9079                 1.0551                 2.2007
 Frc consts  --      2.5064                 1.3935                 3.0570
 IR Inten    --     12.6097                 4.6448                 5.2699
 RamAct Fr= 1--      1.5479                 6.3291                 0.0478
  Dep-P Fr= 1--      0.6215                 0.6817                 0.1762
  Dep-U Fr= 1--      0.7666                 0.8107                 0.2997
 Alpha2 Fr= 1--      0.0036                 0.0076                 0.0007
 Beta2  Fr= 1--      0.1978                 0.8552                 0.0024
 AlphaG Fr= 1--      0.0088                -0.0361                -0.0010
 Gamma2 Fr= 1--     -4.1997                -1.5829                 0.2477
 Delta2 Fr= 1--      1.6657                -1.4306                -0.0988
 Raman1 Fr= 1--       6.192                 25.316                  0.191
 ROA1   Fr= 1--    -349.866               -197.738                 20.616
 CID1   Fr= 1--     -56.507                 -7.811                107.722
 Raman2 Fr= 1--       2.373                 10.262                  0.029
 ROA2   Fr= 1--    -114.118                -26.546                  6.735
 CID2   Fr= 1--     -48.087                 -2.587                234.872
 Raman3 Fr= 1--       4.746                 20.525                  0.057
 ROA3   Fr= 1--    -349.866               -197.738                 20.616
 CID3   Fr= 1--     -73.713                 -9.634                359.465
 RC180  Fr= 1--       0.533                  0.621                 -0.401
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.05   0.02  -0.01    -0.02  -0.00  -0.02    -0.04   0.01   0.01
     3   1     0.03  -0.02   0.05     0.01  -0.00   0.01    -0.01   0.01  -0.03
     4   1    -0.34  -0.05  -0.02     0.03  -0.03   0.05    -0.01   0.01   0.01
     5   6     0.00  -0.02   0.00    -0.03  -0.02  -0.04     0.00   0.01   0.00
     6   6    -0.02  -0.14  -0.03     0.01   0.00   0.00     0.14  -0.02  -0.01
     7   1     0.04   0.09  -0.21     0.62  -0.01   0.13    -0.05  -0.02   0.05
     8   1    -0.18   0.21   0.08    -0.28  -0.20   0.06     0.05  -0.05  -0.02
     9   1     0.00   0.00   0.21     0.12   0.52   0.42    -0.00  -0.01  -0.08
    10   6    -0.08   0.05   0.01     0.00  -0.00  -0.00    -0.08  -0.09  -0.01
    11   6     0.12  -0.00  -0.00    -0.01   0.00   0.00    -0.10   0.12   0.03
    12   6    -0.01  -0.11  -0.02     0.01   0.01   0.00     0.10  -0.02  -0.01
    13   6    -0.11   0.02   0.01    -0.00  -0.01  -0.00    -0.13  -0.09  -0.01
    14   6     0.08   0.04   0.00    -0.01   0.00  -0.00    -0.05   0.10   0.02
    15   1     0.17   0.16   0.03     0.01  -0.00   0.00     0.42   0.10   0.01
    16   1    -0.19   0.25   0.05     0.02  -0.03  -0.01     0.40  -0.25  -0.06
    17   1     0.08   0.52   0.10    -0.00  -0.04  -0.01     0.13  -0.01  -0.01
    18   1     0.29   0.20   0.03     0.00  -0.01  -0.00     0.46   0.14   0.01
    19   1    -0.08   0.18   0.03    -0.01   0.01   0.01     0.40  -0.22  -0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1630.0229              1649.5970              3036.3904
 Red. masses --      5.3991                 5.5652                 1.0354
 Frc consts  --      8.4520                 8.9226                 5.6246
 IR Inten    --      0.7558                 0.8799                12.8307
 RamAct Fr= 1--      8.4605                41.4392               189.7079
  Dep-P Fr= 1--      0.7498                 0.6023                 0.0106
  Dep-U Fr= 1--      0.8570                 0.7518                 0.0210
 Alpha2 Fr= 1--      0.0000                 0.1132                 4.1122
 Beta2  Fr= 1--      1.2085                 5.1924                 0.6655
 AlphaG Fr= 1--     -0.0021                 0.0383                -0.4776
 Gamma2 Fr= 1--      0.2610                 0.8036                -1.1167
 Delta2 Fr= 1--     -0.0852                 0.6567                -2.1699
 Raman1 Fr= 1--      33.842                165.757                758.832
 ROA1   Fr= 1--      22.330                 98.162               -176.640
 CID1   Fr= 1--       0.660                  0.592                 -0.233
 Raman2 Fr= 1--      14.502                 62.309                  7.986
 ROA2   Fr= 1--       6.945                 14.034                 -9.441
 CID2   Fr= 1--       0.479                  0.225                 -1.182
 Raman3 Fr= 1--      29.003                124.618                 15.971
 ROA3   Fr= 1--      22.330                 98.162               -176.640
 CID3   Fr= 1--       0.770                  0.788                -11.060
 RC180  Fr= 1--       0.714                  0.504                 -0.958
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.02   0.04   0.01     0.03  -0.00  -0.01     0.00  -0.01  -0.00
     3   1    -0.00   0.01  -0.01     0.00  -0.01   0.01     0.00  -0.00  -0.00
     4   1    -0.23  -0.01  -0.00    -0.00  -0.01   0.00    -0.01   0.06   0.03
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.02   0.04  -0.03
     6   6    -0.03  -0.29  -0.06    -0.22   0.02   0.01    -0.00   0.00  -0.00
     7   1    -0.04  -0.01   0.02    -0.00   0.00  -0.01     0.07  -0.57  -0.27
     8   1     0.02  -0.01  -0.00    -0.01   0.01   0.00     0.20  -0.02   0.57
     9   1     0.00  -0.01  -0.03    -0.00  -0.02   0.02    -0.46   0.13  -0.00
    10   6     0.11   0.17   0.03     0.31   0.05   0.00     0.00  -0.00   0.00
    11   6     0.05  -0.21  -0.04    -0.26   0.10   0.03     0.00   0.00   0.00
    12   6     0.05   0.35   0.07     0.14  -0.01  -0.01    -0.00   0.00  -0.00
    13   6    -0.09  -0.19  -0.03    -0.28  -0.04   0.00     0.00   0.00  -0.00
    14   6    -0.08   0.20   0.04     0.28  -0.12  -0.03    -0.00  -0.00  -0.00
    15   1    -0.28   0.01   0.01    -0.35  -0.21  -0.03    -0.00  -0.00  -0.00
    16   1    -0.25  -0.01   0.01     0.20  -0.26  -0.06    -0.00  -0.00  -0.00
    17   1    -0.07  -0.47  -0.09     0.15  -0.03  -0.01     0.00  -0.00  -0.00
    18   1     0.23  -0.08  -0.02     0.28   0.19   0.03     0.00  -0.00  -0.00
    19   1     0.32  -0.09  -0.02    -0.27   0.30   0.07     0.01   0.02   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3055.5256              3099.9073              3112.5349
 Red. masses --      1.0858                 1.1008                 1.1020
 Frc consts  --      5.9725                 6.2322                 6.2900
 IR Inten    --     13.0059                31.1984                26.8774
 RamAct Fr= 1--     69.6716                36.7429               124.7576
  Dep-P Fr= 1--      0.3457                 0.4820                 0.5472
  Dep-U Fr= 1--      0.5138                 0.6505                 0.7074
 Alpha2 Fr= 1--      0.6203                 0.1968                 0.4845
 Beta2  Fr= 1--      5.9657                 3.9836                14.7081
 AlphaG Fr= 1--     -0.4470                 0.2058                 0.0546
 Gamma2 Fr= 1--      2.3200                 2.1537                -2.3576
 Delta2 Fr= 1--      2.3892                 0.6747                 0.3245
 Raman1 Fr= 1--     278.686                146.972                499.030
 ROA1   Fr= 1--     299.174                228.344               -215.945
 CID1   Fr= 1--       1.074                  1.554                 -0.433
 Raman2 Fr= 1--      71.588                 47.804                176.497
 ROA2   Fr= 1--      36.566                 46.292                -59.178
 CID2   Fr= 1--       0.511                  0.968                 -0.335
 Raman3 Fr= 1--     143.177                 95.607                352.993
 ROA3   Fr= 1--     299.174                228.344               -215.945
 CID3   Fr= 1--       2.090                  2.388                 -0.612
 RC180  Fr= 1--       0.028                  0.301                  0.415
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.01  -0.07  -0.03     0.00  -0.02  -0.01    -0.00   0.01   0.00
     3   1     0.01  -0.02  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
     4   1    -0.16   0.86   0.40    -0.04   0.21   0.09     0.02  -0.08  -0.04
     5   6    -0.01   0.01   0.02    -0.01  -0.05  -0.07    -0.08   0.04  -0.02
     6   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1     0.02  -0.13  -0.06    -0.07   0.64   0.29     0.01  -0.23  -0.12
     8   1    -0.06   0.01  -0.15     0.22  -0.05   0.62     0.12  -0.01   0.39
     9   1     0.13  -0.03   0.01    -0.08   0.01  -0.02     0.84  -0.21  -0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1     0.01  -0.02  -0.01     0.01  -0.01  -0.00    -0.00   0.01   0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    17   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    19   1     0.01   0.01   0.00    -0.03  -0.04  -0.01     0.01   0.02   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3163.8781              3167.9597              3177.2192
 Red. masses --      1.0853                 1.0866                 1.0898
 Frc consts  --      6.4010                 6.4253                 6.4820
 IR Inten    --      4.5529                 1.3490                 7.5763
 RamAct Fr= 1--     14.8804               108.1231               121.4150
  Dep-P Fr= 1--      0.4105                 0.7369                 0.5012
  Dep-U Fr= 1--      0.5820                 0.8486                 0.6677
 Alpha2 Fr= 1--      0.1061                 0.0241                 0.5963
 Beta2  Fr= 1--      1.4435                15.2914                13.5115
 AlphaG Fr= 1--     -0.0134                 0.0205                -0.0193
 Gamma2 Fr= 1--      1.0357                -2.0584                -2.4737
 Delta2 Fr= 1--      0.2231                -0.0040                 0.5148
 Raman1 Fr= 1--      59.522                432.492                485.660
 ROA1   Fr= 1--     106.567               -197.735               -220.998
 CID1   Fr= 1--       1.790                 -0.457                 -0.455
 Raman2 Fr= 1--      17.322                183.497                162.138
 ROA2   Fr= 1--      23.073                -49.369                -63.486
 CID2   Fr= 1--       1.332                 -0.269                 -0.392
 Raman3 Fr= 1--      34.643                366.993                324.276
 ROA3   Fr= 1--     106.567               -197.735               -220.998
 CID3   Fr= 1--       3.076                 -0.539                 -0.682
 RC180  Fr= 1--       0.164                  0.697                  0.335
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   1    -0.01   0.01   0.01    -0.00   0.02   0.01     0.00  -0.01  -0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   1     0.00  -0.02  -0.01    -0.01   0.04   0.02    -0.00   0.03   0.01
     8   1    -0.00   0.00  -0.01     0.00  -0.00   0.01     0.00  -0.00   0.01
     9   1     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.02  -0.05  -0.01     0.02  -0.04  -0.01    -0.01   0.04   0.01
    11   6     0.02   0.03   0.01     0.01   0.02   0.00     0.02   0.02   0.00
    12   6    -0.03   0.00   0.00     0.01  -0.00  -0.00    -0.05   0.01   0.00
    13   6     0.01  -0.03  -0.01    -0.01   0.04   0.01     0.01  -0.01  -0.00
    14   6     0.02   0.02   0.00    -0.03  -0.04  -0.01    -0.03  -0.04  -0.01
    15   1    -0.21   0.53   0.11    -0.21   0.52   0.10     0.16  -0.40  -0.08
    16   1    -0.29  -0.37  -0.06    -0.15  -0.20  -0.03    -0.20  -0.24  -0.04
    17   1     0.37  -0.05  -0.02    -0.12   0.02   0.01     0.62  -0.08  -0.03
    18   1    -0.15   0.37   0.08     0.17  -0.44  -0.09    -0.06   0.14   0.03
    19   1    -0.21  -0.28  -0.04     0.36   0.47   0.07     0.32   0.42   0.06
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3185.0587              3195.5923              3788.2078
 Red. masses --      1.0936                 1.0976                 1.0661
 Frc consts  --      6.5362                 6.6037                 9.0140
 IR Inten    --     30.3746                12.7331                17.7516
 RamAct Fr= 1--     24.9929               340.0632                57.2956
  Dep-P Fr= 1--      0.7500                 0.0951                 0.1007
  Dep-U Fr= 1--      0.8571                 0.1737                 0.1830
 Alpha2 Fr= 1--      0.0000                 6.0256                 1.0015
 Beta2  Fr= 1--      3.5704                 9.8443                 1.7471
 AlphaG Fr= 1--     -0.0002                 0.0505                -1.0694
 Gamma2 Fr= 1--      0.3571                 1.9932                 2.6058
 Delta2 Fr= 1--     -2.1941                 0.2010                -2.5381
 Raman1 Fr= 1--      99.972               1360.253                229.182
 ROA1   Fr= 1--     -35.931                197.777                168.942
 CID1   Fr= 1--      -0.359                  0.145                  0.737
 Raman2 Fr= 1--      42.845                118.131                 20.965
 ROA2   Fr= 1--      26.123                 46.228                 82.845
 CID2   Fr= 1--       0.610                  0.391                  3.952
 Raman3 Fr= 1--      85.689                236.263                 41.929
 ROA3   Fr= 1--     -35.931                197.777                168.942
 CID3   Fr= 1--      -0.419                  0.837                  4.029
 RC180  Fr= 1--       0.714                 -0.653                 -0.634
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.05  -0.04
     2   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.33   0.76   0.56
     4   1    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.01   0.01
     5   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1    -0.00   0.02   0.01     0.00  -0.01  -0.00     0.00  -0.00  -0.00
     8   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   6     0.01  -0.03  -0.01     0.01  -0.01  -0.00     0.00  -0.00   0.00
    11   6    -0.03  -0.04  -0.01    -0.03  -0.04  -0.01    -0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.06   0.01   0.00     0.00   0.00   0.00
    13   6     0.02  -0.05  -0.01    -0.01   0.04   0.01    -0.00   0.00  -0.00
    14   6    -0.02  -0.03  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
    15   1    -0.12   0.29   0.06    -0.07   0.17   0.03    -0.00   0.00   0.00
    16   1     0.37   0.46   0.08     0.30   0.38   0.07     0.00   0.00  -0.00
    17   1     0.02  -0.01  -0.00     0.66  -0.09  -0.04    -0.00  -0.00   0.00
    18   1    -0.22   0.54   0.11     0.17  -0.43  -0.09     0.00  -0.00   0.00
    19   1     0.26   0.33   0.05    -0.13  -0.16  -0.03    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   520.446801638.930051841.94092
           X            0.99974   0.01587  -0.01664
           Y           -0.01532   0.99935   0.03253
           Z            0.01714  -0.03227   0.99933
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16642     0.05285     0.04702
 Rotational constants (GHZ):           3.46768     1.10117     0.97980
 Zero-point vibrational energy     421859.0 (Joules/Mol)
                                  100.82673 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     23.78   180.34   285.20   341.41   366.91
          (Kelvin)            470.17   484.03   594.94   708.78   781.44
                              873.56   918.81  1023.96  1104.16  1135.88
                             1231.31  1301.50  1337.19  1383.09  1405.84
                             1461.34  1479.04  1516.96  1550.47  1568.72
                             1613.39  1706.20  1738.95  1769.65  1805.45
                             1915.59  1951.99  1997.06  2028.53  2032.08
                             2142.55  2148.39  2154.12  2209.19  2345.24
                             2373.40  4368.69  4396.22  4460.08  4478.24
                             4552.11  4557.99  4571.31  4582.59  4597.74
                             5450.39
 
 Zero-point correction=                           0.160678 (Hartree/Particle)
 Thermal correction to Energy=                    0.169260
 Thermal correction to Enthalpy=                  0.170204
 Thermal correction to Gibbs Free Energy=         0.126271
 Sum of electronic and zero-point Energies=           -386.114886
 Sum of electronic and thermal Energies=              -386.106303
 Sum of electronic and thermal Enthalpies=            -386.105359
 Sum of electronic and thermal Free Energies=         -386.149292
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.212             32.443             92.464
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.842
 Vibrational            104.435             26.482             23.309
 Vibration     1          0.593              1.986              7.013
 Vibration     2          0.610              1.928              3.016
 Vibration     3          0.637              1.842              2.150
 Vibration     4          0.656              1.784              1.823
 Vibration     5          0.665              1.754              1.696
 Vibration     6          0.710              1.622              1.276
 Vibration     7          0.717              1.603              1.229
 Vibration     8          0.777              1.441              0.914
 Vibration     9          0.848              1.266              0.677
 Vibration    10          0.898              1.155              0.559
 Vibration    11          0.966              1.017              0.438
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.830275D-58        -58.080778       -133.735934
 Total V=0       0.669472D+16         15.825732         36.440096
 Vib (Bot)       0.349049D-71        -71.457114       -164.536086
 Vib (Bot)    1  0.125332D+02          1.098063          2.528384
 Vib (Bot)    2  0.162837D+01          0.211753          0.487579
 Vib (Bot)    3  0.100659D+01          0.002854          0.006571
 Vib (Bot)    4  0.827331D+00         -0.082321         -0.189551
 Vib (Bot)    5  0.763495D+00         -0.117194         -0.269849
 Vib (Bot)    6  0.572897D+00         -0.241923         -0.557049
 Vib (Bot)    7  0.553192D+00         -0.257124         -0.592050
 Vib (Bot)    8  0.426736D+00         -0.369841         -0.851590
 Vib (Bot)    9  0.335805D+00         -0.473913         -1.091225
 Vib (Bot)   10  0.290845D+00         -0.536339         -1.234965
 Vib (Bot)   11  0.244120D+00         -0.612396         -1.410095
 Vib (V=0)       0.281447D+03          2.449396          5.639944
 Vib (V=0)    1  0.130432D+02          1.115384          2.568267
 Vib (V=0)    2  0.220340D+01          0.343094          0.790004
 Vib (V=0)    3  0.162393D+01          0.210569          0.484852
 Vib (V=0)    4  0.146668D+01          0.166336          0.383003
 Vib (V=0)    5  0.141265D+01          0.150034          0.345465
 Vib (V=0)    6  0.126040D+01          0.100509          0.231431
 Vib (V=0)    7  0.124567D+01          0.095403          0.219672
 Vib (V=0)    8  0.115735D+01          0.063463          0.146129
 Vib (V=0)    9  0.110230D+01          0.042300          0.097399
 Vib (V=0)   10  0.107844D+01          0.032795          0.075514
 Vib (V=0)   11  0.105641D+01          0.023833          0.054879
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.448696D+06          5.651952         13.014100
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                33333 3333                                             11 1111111111111111111                                  
     7                11111 1100                                             66 54444433322211000009999 8 77 7 66 5 4  4 33 221 1    
     8                98766 1053                                             53 39981185353082975217620 5 86 1 30 4 9  1 32 539 2   1
     8                65784 3066                                             00 57392087150961084867195 6 97 2 97 3 3  4 67 578 5   7
 
     X                XXXXX XXXX                                             XX XXXXXXXXXXXXXXXXXXXX XX   XX X XX X X    XX XXX X   X
     X                XXX   XXXX                                                  X XX  XXX   XXXXX  XX   XX X  X X       X  XX      
     X                XX    XXXX                                                  X XX  X X   XX  X   X    X X  X            XX      
     X                 X    XX                                                      X     X   XX  X   X    X X               XX      
                       X    XX                                                      X         XX  X        X X                X      
                       X    XX                                                      X         XX  X          X                X      
                       X     X                                                      X         X   X          X                X      
                                                                                    X         X              X                X      
                                                                                    X         X              X                X      
                                                                                    X         X              X                X      
                                                                                    X         X              X                X      
                                                                                              X                               X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000010607   -0.000003894   -0.000015466
      2        6           0.000011988   -0.000016401    0.000013738
      3        1           0.000000549    0.000004842    0.000004648
      4        1          -0.000001379    0.000001073   -0.000000397
      5        6           0.000001738    0.000014714   -0.000000918
      6        6          -0.000006534    0.000004770   -0.000007101
      7        1           0.000003652   -0.000003528   -0.000005103
      8        1          -0.000000167   -0.000002216   -0.000000850
      9        1          -0.000002074   -0.000002505    0.000001630
     10        6          -0.000001392    0.000007623    0.000006984
     11        6           0.000005481    0.000001035    0.000001684
     12        6           0.000002310    0.000001010    0.000000265
     13        6          -0.000000749   -0.000002178    0.000001306
     14        6           0.000001024   -0.000005008    0.000003343
     15        1           0.000001047    0.000000213   -0.000003368
     16        1          -0.000001346    0.000001802    0.000000536
     17        1           0.000000037   -0.000001694   -0.000000039
     18        1           0.000002046   -0.000000144   -0.000000166
     19        1          -0.000005624    0.000000486   -0.000000726
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016401 RMS     0.000005420
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129586D+03  0.910274D+00 -0.133479D+01
      2   0.910274D+00  0.103497D+03  0.570669D+01
      3  -0.133479D+01  0.570669D+01  0.725586D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.340839D+00 -0.797738D+01 -0.225382D+01
      2   0.118897D+02 -0.106465D+02  0.962153D+01
      3   0.157809D+01  0.408152D+02  0.100666D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.917343D+02 -0.383287D+01  0.725817D+01
      2   0.294302D+02  0.101314D+02  0.667545D+01
      3   0.623041D+02 -0.629851D+01 -0.139336D+02
      4   0.150949D+02 -0.805410D+02 -0.270647D+02
      5  -0.161983D+02 -0.277512D+02  0.284357D+02
      6  -0.118522D+02 -0.143118D+02  0.959653D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.558548D+01 -0.100560D+01  0.227936D+01 -0.275703D+01  0.207489D+01
      2  -0.100560D+01  0.796208D+00 -0.418980D+00  0.207489D+01 -0.307801D+01
      3   0.227936D+01 -0.418980D+00  0.290723D+01 -0.130514D+01 -0.407163D-01
                 6             7             8             9            10 
      1  -0.130514D+01  0.611504D+01 -0.111677D+01  0.395972D+01 -0.449327D+01
      2  -0.407163D-01 -0.111677D+01 -0.123397D+01 -0.316648D+01  0.134898D+00
      3  -0.343179D+01  0.395972D+01 -0.316648D+01  0.284243D+01 -0.679378D+00
                11            12            13            14            15 
      1   0.134898D+00 -0.679378D+00 -0.529510D+00 -0.238705D+01  0.195977D+01
      2  -0.732964D+00  0.154400D+01 -0.238705D+01  0.403427D+01  0.321292D+01
      3   0.154400D+01 -0.276468D+01  0.195977D+01  0.321292D+01  0.273828D+00
                16            17            18            19            20 
      1  -0.526189D+01  0.220873D+01 -0.560017D+01 -0.598277D+00  0.435481D+00
      2   0.220873D+01  0.337958D+01  0.182869D+01  0.435481D+00 -0.426505D+00
      3  -0.560017D+01  0.182869D+01 -0.192367D+01  0.671112D-01 -0.402975D+00
                21            22            23            24            25 
      1   0.671112D-01  0.220969D+01 -0.439025D-01  0.454854D+00  0.180152D+01
      2  -0.402975D+00 -0.439025D-01  0.214852D+01  0.185351D+01 -0.204670D+00
      3  -0.135136D+01  0.454854D+00  0.185351D+01  0.321185D+01  0.534765D+00
                26            27            28            29            30 
      1  -0.204670D+00  0.534765D+00  0.311370D+00 -0.119063D+01 -0.739181D+00
      2   0.182766D+01  0.127231D+01 -0.119063D+01  0.118634D+01  0.200068D+00
      3   0.127231D+01  0.435179D+01 -0.739181D+00  0.200068D+00  0.776093D+00
                31            32            33            34            35 
      1  -0.252823D+01  0.190576D+01  0.375662D+00 -0.961739D+00  0.413368D+00
      2   0.190576D+01 -0.614248D+01 -0.189575D+01  0.413368D+00 -0.224332D+01
      3   0.375662D+00 -0.189575D+01 -0.185894D+01  0.115546D+01 -0.168665D+01
                36            37            38            39            40 
      1   0.115546D+01 -0.897386D+01  0.196274D+01  0.259349D+00  0.472859D+01
      2  -0.168665D+01  0.196274D+01  0.116287D+01 -0.119211D+01  0.133008D+01
      3  -0.148612D+01  0.259349D+00 -0.119211D+01  0.322777D+01 -0.152969D+01
                41            42            43            44            45 
      1   0.133008D+01 -0.152969D+01 -0.124272D+01 -0.147115D+01  0.264200D+01
      2  -0.344159D+01 -0.291503D+01 -0.147115D+01 -0.280483D+01 -0.807379D+00
      3  -0.291503D+01 -0.162507D+00  0.264200D+01 -0.807379D+00  0.511970D+01
                46            47            48            49            50 
      1   0.182545D+02 -0.192804D+01  0.115914D+01 -0.340093D+01 -0.125161D+01
      2  -0.192804D+01  0.256567D+01 -0.315467D-01 -0.125161D+01 -0.712272D+00
      3   0.115914D+01 -0.315467D-01  0.216818D+01 -0.175735D+01 -0.441169D+00
                51            52            53            54            55 
      1  -0.175735D+01 -0.634453D+00 -0.105053D+01  0.401221D+01  0.485024D+00
      2  -0.441169D+00 -0.105053D+01 -0.300337D+00 -0.383073D+00  0.519361D+00
      3  -0.211514D+00  0.401221D+01 -0.383073D+00 -0.393140D+00  0.500848D+00
                56            57            58            59            60 
      1   0.519361D+00  0.500848D+00  0.186972D+01  0.885229D+00 -0.116487D+00
      2  -0.446913D-01  0.252150D+00  0.885229D+00  0.621351D+01  0.102289D+01
      3   0.252150D+00 -0.408479D+00 -0.116487D+00  0.102289D+01  0.167677D+01
                61            62            63            64            65 
      1   0.137132D+01  0.550218D+00 -0.202139D+00  0.177279D+00 -0.885484D-01
      2   0.550218D+00  0.203829D+01  0.124278D+01 -0.885484D-01 -0.508984D+00
      3  -0.202139D+00  0.124278D+01  0.594842D+00 -0.981402D+00  0.400814D+00
                66            67            68            69            70 
      1  -0.981402D+00 -0.508820D+00 -0.546029D-01  0.110276D+00 -0.169741D+01
      2   0.400814D+00 -0.546029D-01  0.749826D+00 -0.948888D+00 -0.193315D+00
      3  -0.205368D+01  0.110276D+00 -0.948888D+00  0.554267D+00  0.113654D+00
                71            72            73            74            75 
      1  -0.193315D+00  0.113654D+00  0.133902D+02 -0.468578D+00 -0.155250D+01
      2  -0.119218D+01  0.131383D+01 -0.468578D+00  0.108200D+01 -0.263013D-01
      3   0.131383D+01 -0.889625D+01 -0.155250D+01 -0.263013D-01  0.121714D+01
                76            77            78            79            80 
      1  -0.254564D+01  0.107264D+01  0.578413D+00 -0.894528D-01  0.160134D+00
      2   0.107264D+01 -0.285875D+00  0.168986D+00  0.160134D+00  0.344359D+00
      3   0.578413D+00  0.168986D+00 -0.480128D+00  0.115179D+01  0.300134D-02
                81            82            83            84            85 
      1   0.115179D+01 -0.575154D+01  0.263538D+01 -0.601088D-01 -0.661925D+01
      2   0.300134D-02  0.263538D+01  0.234293D+01  0.287907D+00  0.252664D+00
      3  -0.773973D+00 -0.601088D-01  0.287907D+00  0.769448D+00 -0.426546D+00
                86            87            88            89            90 
      1   0.252664D+00 -0.426546D+00 -0.118412D+01 -0.611005D+00  0.109687D+01
      2  -0.147985D+01  0.833312D+00 -0.611005D+00  0.119064D+01 -0.377064D+01
      3   0.833312D+00 -0.170537D+01  0.109687D+01 -0.377064D+01 -0.219923D+01
                91            92            93            94            95 
      1   0.271318D+01 -0.576296D+00  0.223499D+00 -0.575079D+01  0.926898D+00
      2  -0.576296D+00 -0.292346D+01 -0.685364D+00  0.926898D+00 -0.488045D+00
      3   0.223499D+00 -0.685364D+00 -0.137360D+01  0.566025D+00  0.104776D+01
                96            97            98            99           100 
      1   0.566025D+00 -0.114719D+01  0.707738D+00 -0.299417D+01 -0.562144D+01
      2   0.104776D+01  0.707738D+00  0.141521D+01 -0.311450D+01  0.159193D+00
      3  -0.135687D+01 -0.299417D+01 -0.311450D+01 -0.143681D+01 -0.290237D+00
               101           102           103           104           105 
      1   0.159193D+00 -0.290237D+00  0.868051D+00  0.533280D+00  0.142507D+01
      2  -0.327221D+01 -0.199312D+00  0.533280D+00 -0.102648D+00 -0.498726D+00
      3  -0.199312D+00 -0.229876D+01  0.142507D+01 -0.498726D+00  0.201014D+00
               106           107           108           109           110 
      1   0.353126D-01  0.115487D+01 -0.529173D+01  0.447619D+01 -0.747779D+00
      2   0.115487D+01 -0.138108D+00  0.437274D+00 -0.747779D+00 -0.192303D+01
      3  -0.529173D+01  0.437274D+00  0.551846D+00 -0.126597D+00  0.101632D+00
               111           112           113           114           115 
      1  -0.126597D+00  0.509194D+01 -0.156115D+00  0.335191D+00  0.122586D+01
      2   0.101632D+00 -0.156115D+00  0.107473D+01 -0.888410D+00  0.489956D+00
      3  -0.870732D+00  0.335191D+00 -0.888410D+00  0.155423D+01 -0.183804D+01
               116           117           118           119           120 
      1   0.489956D+00 -0.183804D+01 -0.455718D+01 -0.489020D+00 -0.202313D+00
      2  -0.117922D+01  0.380830D+01 -0.489020D+00  0.331502D+01  0.549136D+00
      3   0.380830D+01  0.221595D+01 -0.202313D+00  0.549136D+00  0.141887D+01
               121           122           123           124           125 
      1   0.887154D+01  0.572217D-01  0.361118D+00  0.182744D+01 -0.609214D-01
      2   0.572217D-01  0.126267D+01 -0.566878D+00 -0.609214D-01 -0.114106D+01
      3   0.361118D+00 -0.566878D+00  0.167263D+01  0.205260D+01  0.310720D+01
               126           127           128           129           130 
      1   0.205260D+01  0.156281D+01 -0.178926D+01 -0.395279D+00 -0.155668D+01
      2   0.310720D+01 -0.178926D+01  0.229014D+01  0.451788D+00  0.202932D+01
      3   0.142780D+01 -0.395279D+00  0.451788D+00  0.293579D+00  0.443285D+00
               131           132           133           134           135 
      1   0.202932D+01  0.443285D+00 -0.418404D+00  0.467012D+00 -0.907104D-03
      2  -0.881600D+01 -0.153862D+01  0.467012D+00 -0.161208D+01 -0.457157D+00
      3  -0.153862D+01 -0.115552D+01 -0.907104D-03 -0.457157D+00 -0.245628D+00
               136           137           138           139           140 
      1  -0.509805D+01 -0.394077D+01 -0.656382D+00 -0.382523D+01 -0.453118D+01
      2  -0.394077D+01 -0.360704D+01 -0.500109D+00 -0.453118D+01 -0.669524D+01
      3  -0.656382D+00 -0.500109D+00 -0.640935D+00 -0.783860D+00 -0.101244D+01
               141           142           143           144           145 
      1  -0.783860D+00 -0.653215D+00 -0.738398D+00 -0.265311D+00 -0.132893D+02
      2  -0.101244D+01 -0.738398D+00 -0.120700D+01 -0.320864D+00  0.136403D+01
      3  -0.923621D+00 -0.265311D+00 -0.320864D+00 -0.203890D+00  0.597491D+00
               146           147           148           149           150 
      1   0.136403D+01  0.597491D+00  0.139216D+01 -0.171740D+01 -0.339280D+00
      2  -0.927302D+00 -0.333933D-01 -0.171740D+01  0.488330D+00  0.975229D-01
      3  -0.333933D-01 -0.940770D+00 -0.339280D+00  0.975229D-01  0.146066D+00
               151           152           153           154           155 
      1   0.491581D+00 -0.358133D+00 -0.193848D+00 -0.229073D+01  0.264254D+01
      2  -0.358133D+00  0.893752D-01  0.496708D-01  0.264254D+01 -0.281253D+01
      3  -0.193848D+00  0.496708D-01  0.101862D+00  0.574736D+00 -0.536741D+00
               156           157           158           159           160 
      1   0.574736D+00  0.233163D+01 -0.381333D+01 -0.771800D+00  0.500927D+00
      2  -0.536741D+00 -0.381333D+01  0.949532D+01  0.173667D+01 -0.765850D+00
      3  -0.436211D+00 -0.771800D+00  0.173667D+01  0.120125D+01 -0.202429D+00
               161           162           163           164           165 
      1  -0.765850D+00 -0.202429D+00  0.371770D+01  0.237089D+01  0.218422D-01
      2   0.180246D+01  0.471974D+00  0.237089D+01  0.243753D+01  0.239338D+00
      3   0.471974D+00  0.266934D+00  0.218422D-01  0.239338D+00  0.360904D+00
               166           167           168           169           170 
      1   0.265878D+01  0.288721D+01  0.420491D+00 -0.783970D-01  0.418718D+00
      2   0.288721D+01  0.577483D+01  0.773064D+00  0.418718D+00  0.964544D+00
      3   0.420491D+00  0.773064D+00  0.794357D+00 -0.130312D+00  0.171705D+00
               171 
      1  -0.130312D+00
      2   0.171705D+00
      3   0.855490D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.822970D+00  0.408846D+01  0.139793D+01  0.909238D+00 -0.591526D+01
      2   0.145809D+01  0.739773D+00  0.126826D+02  0.295221D+01 -0.265912D+01
      3  -0.902691D+00 -0.837729D+01 -0.154539D+01 -0.436342D+01  0.656350D+01
                 6             7             8             9            10 
      1  -0.811515D+01  0.279846D+01  0.414603D-01 -0.183450D+00 -0.341038D-01
      2  -0.790202D+01  0.700771D+01 -0.811489D+01  0.456467D+01 -0.649510D+00
      3   0.209963D+01 -0.368261D+01  0.303735D+01  0.563706D+01  0.503729D+01
                11            12            13            14            15 
      1   0.429210D+00  0.150936D+00  0.103209D+01  0.986678D+00 -0.323032D+01
      2   0.111648D+01 -0.392549D+01  0.136058D+01  0.594778D+01  0.132645D+01
      3   0.270334D+01 -0.508879D+00  0.129559D+02 -0.778043D+01 -0.832751D+01
                16            17            18            19            20 
      1  -0.211085D+01  0.772462D+00 -0.128678D+01  0.242407D+01 -0.204250D+01
      2  -0.162928D+02  0.534786D+01 -0.553168D+01  0.433799D+01 -0.210078D+01
      3   0.439204D+00 -0.102310D+02 -0.175494D+01 -0.270627D+01  0.212190D+01
                21            22            23            24            25 
      1  -0.837627D+00 -0.165411D+01  0.617164D+01  0.369911D+01 -0.562916D+00
      2  -0.294460D+01 -0.325537D+01  0.518591D+01  0.767018D+01 -0.173345D+01
      3   0.986590D+00  0.380975D+01 -0.493431D+01 -0.476868D+01  0.305105D+00
                26            27            28            29            30 
      1   0.469343D+01  0.462395D+01 -0.146772D-01 -0.576652D+00  0.719634D+00
      2   0.366240D+01  0.950891D+01 -0.171704D+01  0.301842D+00  0.202214D+01
      3  -0.351934D+01 -0.394554D+01  0.332263D+01 -0.302120D+01 -0.141471D+00
                31            32            33            34            35 
      1  -0.736343D-01  0.140292D+01 -0.266537D+01  0.848625D+00  0.120948D+01
      2  -0.454627D+00 -0.345033D+01 -0.395272D+01  0.255607D+00 -0.302865D+01
      3   0.136843D+01  0.123026D+02  0.400208D+01  0.772191D+00  0.507599D+01
                36            37            38            39            40 
      1  -0.754084D+00 -0.234846D+01 -0.164192D+01 -0.141784D+01  0.572402D-01
      2  -0.225644D+01 -0.761382D+01 -0.787807D+00  0.113813D+02 -0.231155D+00
      3   0.290521D+01 -0.144910D+02 -0.627143D+01  0.381895D+01 -0.512201D+00
                41            42            43            44            45 
      1   0.595921D+01  0.170045D+01  0.760265D+00  0.647238D+01 -0.495232D+01
      2  -0.656190D+01 -0.263198D+01  0.269411D+01 -0.417821D+01  0.179987D+02
      3   0.128724D+02  0.845514D+01  0.296839D+01  0.865423D+01  0.386880D+01
                46            47            48            49            50 
      1   0.694552D+00  0.161368D+00  0.252247D+00  0.810970D+00 -0.214305D+01
      2   0.250389D+01 -0.152586D+01 -0.858543D+00 -0.127545D+01 -0.825643D+00
      3  -0.169835D+01  0.536170D+01  0.833598D+00  0.179672D+02 -0.173772D+01
                51            52            53            54            55 
      1   0.112998D+01  0.129055D+01  0.104489D+02  0.171826D+01 -0.153351D+01
      2   0.418406D+00 -0.160058D+02 -0.214540D+00 -0.102905D+01  0.161958D+01
      3   0.250843D+01  0.675810D+00  0.298627D+00 -0.108768D+01 -0.367227D+01
                56            57            58            59            60 
      1  -0.482542D-01  0.400219D+00  0.100003D+00 -0.790194D+01 -0.529457D+01
      2   0.852580D+00 -0.350669D+00  0.470690D+00  0.374958D+01  0.453312D+01
      3   0.786361D+00  0.432499D+00  0.322426D+01 -0.180458D+02 -0.440835D+01
                61            62            63            64            65 
      1  -0.662189D-01 -0.195491D+01 -0.249767D+01  0.784543D+00  0.112956D+01
      2  -0.120774D+01  0.328931D+01  0.162420D+01 -0.385350D+01  0.589076D+00
      3   0.163093D+01 -0.636347D+01 -0.425300D+01  0.168020D-01  0.885119D+00
                66            67            68            69            70 
      1   0.129772D+01  0.551826D+00 -0.384458D+00 -0.508770D+00  0.678162D+00
      2  -0.558639D+01 -0.154595D+00 -0.223617D+01  0.169364D+01 -0.460396D+01
      3  -0.153398D+01  0.147153D+01 -0.194488D+01  0.218303D+01 -0.130323D+01
                71            72            73            74            75 
      1   0.271212D+01  0.517175D+01  0.146267D+01 -0.163941D+01 -0.598450D+00
      2   0.314353D+01 -0.227378D+02  0.809403D+01 -0.617207D+00  0.484139D+01
      3   0.273671D+01 -0.414911D+01  0.954250D+01 -0.679924D+01 -0.822382D+00
                76            77            78            79            80 
      1  -0.121297D+01  0.177734D+00 -0.813766D+00 -0.667011D+00  0.217172D+00
      2  -0.643129D+00  0.152986D+01 -0.122519D+01  0.149206D+01  0.842012D-01
      3  -0.341411D+01  0.113892D+01 -0.796724D+00 -0.813392D+00 -0.899811D+00
                81            82            83            84            85 
      1   0.182148D+00 -0.107083D+01 -0.717536D+00  0.938879D+00 -0.133631D+01
      2  -0.126398D+01 -0.301334D+01  0.152699D+01 -0.669052D+00  0.144386D+01
      3   0.451241D+00  0.482221D+01 -0.467117D+01 -0.151018D+01  0.315900D+01
                86            87            88            89            90 
      1   0.336798D+00 -0.229991D+01  0.429517D+01  0.704384D+00 -0.295094D+00
      2   0.986446D+00  0.119709D+01 -0.131316D+02  0.187539D+01  0.242861D+01
      3  -0.586027D+01 -0.686778D+00 -0.217015D+01  0.646164D+00 -0.522444D+01
                91            92            93            94            95 
      1   0.117848D+00  0.268582D+00 -0.173690D+01  0.120353D+01 -0.148000D+00
      2   0.131480D+01  0.132875D+01  0.244386D+01 -0.134112D+01 -0.267014D+01
      3  -0.360479D+01 -0.101443D+02 -0.164175D+01  0.661697D+01 -0.285478D+00
                96            97            98            99           100 
      1  -0.164620D+01 -0.652773D+01  0.409231D+01  0.928062D+00  0.247069D-01
      2   0.393466D+01 -0.334427D+01  0.996404D+01  0.347694D+01 -0.111233D+01
      3   0.190368D+01  0.113043D+01  0.271983D+01 -0.443445D+01  0.247936D+01
               101           102           103           104           105 
      1   0.254909D+00  0.701426D+00 -0.189539D-01 -0.296320D+01  0.101361D+01
      2  -0.146304D+00  0.582452D+01 -0.423381D+01 -0.170261D+00 -0.978287D+00
      3  -0.613242D+01 -0.431064D-01  0.125581D+02  0.147847D+01 -0.577938D+00
               106           107           108           109           110 
      1   0.205668D+01  0.112323D+02  0.253835D+01  0.763037D+00 -0.174655D+00
      2   0.703413D+01 -0.234967D+01 -0.138303D+01  0.201596D+01  0.265987D+01
      3   0.344981D+01 -0.238503D+00  0.102681D+01 -0.271197D+01 -0.133891D+02
               111           112           113           114           115 
      1   0.192179D+01 -0.105068D+01  0.318315D+00 -0.244164D+01  0.511707D+01
      2   0.138555D+01  0.135474D+01  0.271115D+01 -0.358492D+01 -0.804776D+01
      3  -0.241356D+01  0.390474D+01  0.293527D+00 -0.176103D+01  0.736999D-01
               116           117           118           119           120 
      1   0.764598D+00 -0.104301D+01 -0.137311D+01 -0.171302D+00 -0.256606D+01
      2  -0.906464D+01 -0.377388D+01 -0.183405D+01  0.382500D+00 -0.134522D+01
      3  -0.296785D+01  0.450059D+01 -0.382331D+00 -0.299877D+00  0.844985D+00
               121           122           123           124           125 
      1   0.857070D+00 -0.493832D+00 -0.183927D+01 -0.749527D+01  0.298585D+01
      2   0.365597D+01 -0.714171D+00 -0.936827D+00 -0.125130D+02 -0.803072D+00
      3   0.806826D+00  0.576153D+01 -0.459329D+00 -0.214309D+01  0.612141D+00
               126           127           128           129           130 
      1   0.585403D-02  0.320700D-01 -0.252327D+00  0.144611D+01  0.110235D-01
      2  -0.719405D+00  0.124849D+01 -0.917226D+00  0.102081D+00 -0.122894D+01
      3   0.649929D+01 -0.589776D+01  0.384501D+01  0.979285D+00  0.680348D+01
               131           132           133           134           135 
      1   0.757788D+00 -0.405851D+01 -0.444591D+00  0.197839D+01 -0.350766D+00
      2   0.187860D+01 -0.159404D+00 -0.160444D+01  0.365822D+00 -0.132961D+00
      3  -0.886769D+01 -0.199471D+01  0.125620D+01 -0.157853D+01 -0.147903D+00
               136           137           138           139           140 
      1   0.202106D+00  0.559174D+00 -0.220470D+01 -0.894986D-01  0.464679D+00
      2  -0.581517D-01  0.590257D-01  0.284837D+01  0.724278D+00  0.136355D+01
      3  -0.155241D+01 -0.476224D+01 -0.272745D+00 -0.381369D+01 -0.111116D+02
               141           142           143           144           145 
      1  -0.315350D+01  0.739098D+00  0.137297D+01 -0.392354D+00 -0.102903D+00
      2   0.343724D+01 -0.697120D+00 -0.284129D+00  0.442075D+00 -0.919756D+00
      3  -0.134351D+01 -0.732101D+00 -0.212085D+01 -0.359121D+00  0.638308D+00
               146           147           148           149           150 
      1  -0.210407D+00  0.644492D+00  0.423478D-01 -0.771733D-02 -0.392948D+00
      2  -0.728170D-01  0.607786D+01  0.130968D+01 -0.304194D+00 -0.873015D+00
      3  -0.524343D+01  0.152691D+00 -0.394991D+01  0.147429D+01  0.229621D+00
               151           152           153           154           155 
      1  -0.315272D+00  0.445007D+00  0.162159D-01 -0.188990D+00 -0.120529D+00
      2  -0.216055D+01  0.800389D-01 -0.279766D+00 -0.310737D+00  0.388371D+00
      3  -0.135448D+01  0.474080D+00  0.269303D-01  0.734338D+00 -0.234251D+01
               156           157           158           159           160 
      1   0.159357D+01  0.263354D+00  0.316226D+00 -0.430359D+01 -0.566680D+00
      2   0.148761D+01  0.478251D+00 -0.246996D+01 -0.314593D+01 -0.386631D+00
      3  -0.228519D+00 -0.142195D+01  0.137134D+02  0.224011D+01 -0.362732D+00
               161           162           163           164           165 
      1   0.170473D+01 -0.555203D+00  0.983956D+00  0.704218D+00 -0.210338D+01
      2   0.625291D-02 -0.594039D+00 -0.217753D+01 -0.923241D+00  0.861960D+00
      3   0.273826D+01  0.545057D+00  0.105714D+02  0.400252D+01 -0.237569D+00
               166           167           168           169           170 
      1   0.264406D+00  0.211456D+00 -0.305895D+01  0.627450D+00  0.185519D+01
      2  -0.932072D+00 -0.129097D+01  0.117952D+01 -0.154102D+01 -0.235868D+00
      3   0.761567D+01  0.542436D+01  0.839412D+00 -0.139972D+00  0.926011D+00
               171 
      1  -0.229270D-01
      2   0.321332D+00
      3  -0.104798D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.203567D+02 -0.327176D+01  0.173729D+01 -0.343990D+01  0.468990D+01
      2  -0.140570D+02 -0.355460D+00 -0.734740D+01  0.118932D+01  0.447447D+01
      3  -0.629974D+01  0.362722D+01  0.561012D+01  0.225058D+01 -0.916437D+01
      4  -0.531278D+01  0.139029D+02 -0.272693D+01  0.165645D+02 -0.155727D+02
      5   0.154704D+02 -0.337737D+01  0.221215D+02 -0.834711D+01  0.255649D+01
      6  -0.443932D+01  0.521635D+01 -0.902073D+00  0.506718D+01 -0.103168D+02
                 6             7             8             9            10 
      1   0.822100D+01  0.363826D+01  0.517821D+01  0.527647D+00  0.762207D+01
      2   0.453016D+01 -0.132194D+02  0.378116D+01 -0.119420D+02 -0.294327D+01
      3  -0.127512D+02  0.958116D+01 -0.895938D+01  0.114144D+02 -0.467880D+01
      4   0.477668D+00 -0.586039D+01 -0.233067D+01 -0.144515D+02 -0.250548D+01
      5  -0.134724D+02  0.307435D+02 -0.124221D+02  0.206101D+02 -0.614016D+01
      6   0.286925D+01 -0.483917D+01  0.691439D+01 -0.130773D+02  0.384857D+01
                11            12            13            14            15 
      1  -0.322021D+01  0.129449D+01 -0.980830D+01  0.121289D+01  0.579870D+01
      2   0.132625D+01  0.167939D+01  0.736245D+01 -0.628065D+01 -0.104387D+02
      3   0.189396D+01 -0.297389D+01  0.244585D+01  0.506777D+01  0.464000D+01
      4  -0.127923D+02  0.626844D+01 -0.134515D+02  0.181973D+02  0.157833D+02
      5   0.658355D+01 -0.175127D+02  0.133755D+02  0.150509D+02  0.753837D-01
      6   0.174033D+01  0.637703D+00  0.580793D+01 -0.577420D+01 -0.549284D+01
                16            17            18            19            20 
      1  -0.286895D+01  0.546457D+01 -0.627503D+01 -0.646844D+00  0.231227D+01
      2   0.103845D+02 -0.567553D+01  0.761811D+01 -0.771898D-01  0.267554D+00
      3  -0.751553D+01  0.210965D+00 -0.134308D+01  0.724034D+00 -0.257983D+01
      4   0.132283D+02  0.152478D+02  0.719139D+01  0.166557D+01 -0.309181D+01
      5  -0.367237D+02  0.648823D+01 -0.102420D+02  0.977925D+00 -0.386369D+00
      6   0.443063D+01 -0.112279D+02  0.521214D+01  0.150924D+01 -0.181612D+01
                21            22            23            24            25 
      1   0.592904D+01  0.458696D+01 -0.655290D+01 -0.653096D+01  0.459510D+01
      2   0.759951D+00 -0.306938D+01 -0.559357D+00 -0.421743D+01 -0.300287D+01
      3  -0.668899D+01 -0.151758D+01  0.711225D+01  0.107484D+02 -0.159223D+01
      4  -0.166252D+01 -0.248969D+00  0.901545D+01  0.773813D+01 -0.150415D+01
      5  -0.269005D+01  0.389679D+01  0.594041D+01  0.114396D+02  0.548089D+01
      6  -0.138378D+01 -0.440136D+00  0.707237D+01  0.829860D+01 -0.990301D+00
                26            27            28            29            30 
      1  -0.388836D+01 -0.930997D+01  0.238002D+01 -0.321640D+01 -0.178035D+01
      2  -0.281269D+01 -0.681600D+01  0.169269D+01  0.411755D+00  0.446536D+00
      3   0.670105D+01  0.161260D+02 -0.407271D+01  0.280464D+01  0.133381D+01
      4   0.693499D+01  0.543641D+01 -0.759445D+01  0.108480D+02  0.224991D+01
      5   0.406873D+01  0.140496D+02 -0.371506D+01  0.210945D+01  0.559820D+01
      6   0.628393D+01  0.453016D+01  0.285507D+01 -0.192703D+01 -0.806423D+00
                31            32            33            34            35 
      1  -0.221500D+01 -0.975670D+01 -0.322015D+01 -0.133158D+01 -0.417952D+01
      2  -0.199063D+01  0.187338D+02  0.519636D+01 -0.403492D-02  0.349977D+01
      3   0.420562D+01 -0.897710D+01 -0.197621D+01  0.133562D+01  0.679758D+00
      4   0.126435D+02 -0.274643D+02 -0.857666D+01  0.304248D+01 -0.102029D+02
      5   0.293254D+01 -0.771094D+01 -0.772888D+01  0.712931D+01 -0.660606D+01
      6  -0.313294D+01  0.107402D+02  0.771171D+01 -0.274719D+01  0.931387D+01
                36            37            38            39            40 
      1  -0.340733D+01 -0.555140D+02  0.736219D+01  0.107311D+02  0.178819D+02
      2   0.127336D+01  0.328166D+02 -0.263580D+01  0.961472D+00 -0.109603D+02
      3   0.213397D+01  0.226974D+02 -0.472639D+01 -0.116925D+02 -0.692168D+01
      4  -0.750463D+01  0.860184D+01  0.994389D+01 -0.500994D+01  0.101494D+02
      5  -0.590035D+01  0.128124D+02 -0.744998D+01  0.150037D+02 -0.132011D+02
      6   0.656895D+01 -0.495338D+01 -0.382077D+01  0.580563D+01 -0.503033D+01
                41            42            43            44            45 
      1   0.766109D+01 -0.413503D+01  0.238509D+00 -0.260922D+01  0.251695D+02
      2  -0.152792D+02 -0.318490D+01  0.208174D+01 -0.662969D+01  0.112903D+01
      3   0.761812D+01  0.731993D+01 -0.232025D+01  0.923890D+01 -0.262986D+02
      4  -0.162625D+02 -0.164674D+02 -0.874659D+01 -0.160370D+02  0.766415D+00
      5  -0.174007D+02  0.102440D+01  0.144656D+02 -0.192687D+01  0.152189D+02
      6  -0.226947D+01  0.473782D+01  0.397117D+01  0.363122D+01  0.390310D+01
                46            47            48            49            50 
      1  -0.183092D+02  0.411889D+01  0.171693D+01  0.113185D+01 -0.784767D+01
      2   0.334888D+01 -0.317072D+01 -0.199530D+01  0.365212D+01  0.135301D+02
      3   0.149603D+02 -0.948172D+00  0.278374D+00 -0.478397D+01 -0.568239D+01
      4  -0.152636D+01  0.549273D+01 -0.825940D+00 -0.920723D+01  0.777536D+00
      5   0.909698D+01 -0.857503D+00  0.496120D+01 -0.670023D+01 -0.132660D+01
      6  -0.371148D+01 -0.556018D-02 -0.236062D+01  0.174689D+01  0.414175D+01
                51            52            53            54            55 
      1  -0.722103D+00  0.177635D+01 -0.111396D+01 -0.756645D+01  0.509972D+01
      2   0.628732D+01  0.167431D+01  0.308389D+01 -0.371541D+01 -0.190982D+00
      3  -0.556522D+01 -0.345066D+01 -0.196993D+01  0.112819D+02 -0.490874D+01
      4  -0.187656D+01 -0.408200D+01 -0.845470D+00 -0.792819D-01  0.268830D+01
      5  -0.680288D-01  0.671950D+01 -0.226720D+00  0.272804D+00  0.828689D+00
      6  -0.112612D+01 -0.116989D+01  0.481307D+01 -0.287144D+01  0.102399D+01
                56            57            58            59            60 
      1   0.329173D+01 -0.114851D+00  0.594784D+01 -0.998766D+01 -0.105367D+01
      2  -0.127363D+01 -0.480665D+00 -0.106074D+01  0.259186D+02  0.612141D+01
      3  -0.201810D+01  0.595516D+00 -0.488711D+01 -0.159310D+02 -0.506774D+01
      4   0.284052D+01  0.203681D+01  0.961709D+01  0.321049D+02  0.545775D+01
      5   0.907419D+00 -0.107003D+01 -0.155160D+01  0.630519D+01  0.852129D+01
      6   0.510155D+00 -0.117072D+01 -0.104044D+01 -0.359340D+01  0.426371D+01
                61            62            63            64            65 
      1   0.445069D+01 -0.307224D+00 -0.476343D+01 -0.316382D+00  0.952687D+00
      2  -0.201057D+01  0.578582D+01  0.348019D+01 -0.330386D+01 -0.465214D+00
      3  -0.244013D+01 -0.547859D+01  0.128324D+01  0.362024D+01 -0.487473D+00
      4   0.515226D+01  0.111014D+02  0.560549D+01 -0.129836D+01 -0.150395D+01
      5  -0.291957D+00  0.615848D+01  0.403765D+01 -0.191743D+01  0.105745D+01
      6  -0.563149D-01  0.365338D+01  0.255371D+01 -0.893373D+00  0.227444D+01
                66            67            68            69            70 
      1  -0.110151D+02 -0.165796D+01 -0.539828D+01  0.300816D+01 -0.853530D+01
      2  -0.606678D+00  0.117196D+01  0.209684D+01 -0.125664D+01  0.427642D+01
      3   0.116218D+02  0.486007D+00  0.330144D+01 -0.175152D+01  0.425889D+01
      4  -0.440298D+00  0.948023D+00  0.312181D+01 -0.341494D+01 -0.320029D+01
      5  -0.239163D+01  0.740650D+00 -0.266511D+01  0.220783D+01  0.772178D+01
      6  -0.289330D+01  0.421518D+00 -0.245385D+01  0.811896D+01  0.404165D-01
                71            72            73            74            75 
      1   0.396345D+01 -0.274823D+02  0.882381D+02 -0.484383D+01 -0.732373D+01
      2   0.122168D-01 -0.147142D+02 -0.489074D+02  0.363550D+01  0.657194D+01
      3  -0.397567D+01  0.421965D+02 -0.393307D+02  0.120833D+01  0.751788D+00
      4  -0.497183D+01  0.325032D+01  0.370015D+01  0.101761D+02 -0.488567D+00
      5   0.540208D+01 -0.347026D+02 -0.255322D+02  0.988190D+00  0.126812D+02
      6   0.749231D+01 -0.128112D+02  0.841834D+00 -0.265906D+01  0.893575D+00
                76            77            78            79            80 
      1  -0.152809D+02  0.714971D+01  0.147924D+01  0.468240D+00  0.268310D+00
      2   0.921723D+01 -0.186921D+01 -0.124608D+01  0.193337D+01  0.544180D+00
      3   0.606366D+01 -0.528049D+01 -0.233169D+00 -0.240161D+01 -0.812490D+00
      4   0.985493D+01 -0.222527D+01  0.612247D+00  0.684711D+00  0.141382D+01
      5   0.597614D+01 -0.708003D+00 -0.340987D+01  0.117572D+02 -0.542070D+00
      6  -0.249237D+01  0.133178D+01  0.771676D+00  0.509201D+00  0.873445D+00
                81            82            83            84            85 
      1   0.485543D+01  0.118511D+02  0.840156D+01  0.131799D+01 -0.125030D+01
      2  -0.538892D+01 -0.772221D+01 -0.626274D+01  0.977408D+00  0.988100D+01
      3   0.533490D+00 -0.412891D+01 -0.213882D+01 -0.229540D+01 -0.863070D+01
      4  -0.172945D+00  0.570039D+01 -0.177269D+02 -0.305877D+01  0.987148D+01
      5  -0.518467D+01 -0.266724D+01 -0.255822D+01 -0.413640D+01 -0.533995D-02
      6  -0.606407D+00 -0.560339D+00 -0.546254D-01 -0.263611D+01  0.511638D+01
                86            87            88            89            90 
      1   0.945726D+01  0.457983D+01 -0.195283D+01  0.381195D+01 -0.151065D+02
      2  -0.145023D+02 -0.577908D+01  0.408141D+01 -0.956166D+01  0.186942D+01
      3   0.504501D+01  0.119925D+01 -0.212857D+01  0.574972D+01  0.132371D+02
      4   0.144954D+02  0.209502D+01 -0.794747D+00  0.196231D+01  0.609594D+01
      5   0.210198D+01  0.138327D+00  0.392176D+01  0.518790D+01  0.351143D+01
      6  -0.850923D+01  0.407911D+01 -0.232662D+01  0.147981D+02  0.396035D+01
                91            92            93            94            95 
      1  -0.844995D+00 -0.222016D+02 -0.522128D+01  0.270466D+02  0.378042D+01
      2  -0.317054D+01  0.140386D+02  0.571937D+00 -0.242799D+02 -0.727032D+01
      3   0.401553D+01  0.816303D+01  0.464934D+01 -0.276664D+01  0.348990D+01
      4  -0.150130D+02  0.169627D+01  0.808941D+00 -0.115660D+01 -0.118762D+02
      5   0.682784D-01 -0.382195D+00  0.522447D+01 -0.581187D+01 -0.699475D+01
      6  -0.710141D+00  0.164293D+01  0.502440D+01 -0.643543D+01 -0.586116D+01
                96            97            98            99           100 
      1   0.474762D+00  0.586294D+01  0.189276D+01  0.221857D+01 -0.144814D+02
      2  -0.788184D+00 -0.882441D+01 -0.593183D+01 -0.806432D+01  0.102236D+02
      3   0.313422D+00  0.296147D+01  0.403908D+01  0.584575D+01  0.425778D+01
      4  -0.797955D+01 -0.309944D+01 -0.864991D+01  0.150471D+02  0.340554D+01
      5   0.782442D+01  0.187760D+02  0.152995D+02  0.763572D+01  0.181540D+01
      6   0.308106D+01  0.745739D+01  0.112957D+02 -0.217906D+00  0.161493D+01
               101           102           103           104           105 
      1   0.509551D+01  0.292564D+01 -0.803354D+01 -0.202726D+02 -0.744909D+01
      2  -0.389825D+01 -0.137930D+01  0.677370D+01  0.170460D+02  0.781802D+01
      3  -0.119726D+01 -0.154634D+01  0.125984D+01  0.322664D+01 -0.368931D+00
      4   0.218948D+02  0.147300D+01 -0.175086D+02  0.312883D+01  0.329349D+01
      5   0.125782D+01  0.138953D+02 -0.993607D+01  0.912995D+00 -0.132698D+01
      6  -0.265139D+00 -0.171713D+01  0.286878D+01  0.368934D+01 -0.161498D+01
               106           107           108           109           110 
      1   0.102474D+01 -0.747362D+01  0.149733D+02  0.905068D+01  0.192590D+02
      2   0.148715D+01  0.587284D+01 -0.171783D+02 -0.965269D+01 -0.121087D+02
      3  -0.251190D+01  0.160078D+01  0.220499D+01  0.602007D+00 -0.715027D+01
      4  -0.114385D+02  0.182012D+01 -0.354444D+01  0.142949D+02 -0.607005D+01
      5   0.355011D+02 -0.356221D+01 -0.243607D+01  0.440636D+01 -0.116161D+01
      6  -0.227154D+01  0.462387D+01 -0.351881D+01 -0.444998D+01  0.108625D-01
               111           112           113           114           115 
      1   0.304993D+01 -0.216970D+02  0.117091D+02  0.373147D+01 -0.423300D+01
      2  -0.291436D+00  0.189450D+02 -0.160694D+02 -0.565048D+01  0.615464D+01
      3  -0.275849D+01  0.275201D+01  0.436025D+01  0.191901D+01 -0.192164D+01
      4  -0.283535D+01  0.987670D+01  0.575451D+01  0.543439D+01 -0.897406D+00
      5  -0.267624D+00 -0.673796D-01  0.596942D+01 -0.755794D+01  0.124393D+02
      6  -0.395089D+01  0.423330D+01 -0.933548D+01  0.439217D+01 -0.661745D+01
               116           117           118           119           120 
      1   0.189276D+01 -0.577807D+01 -0.576397D+00 -0.156762D+02 -0.320441D+01
      2  -0.861233D+01 -0.342711D+01 -0.908737D-01  0.118432D+02  0.183060D+00
      3   0.671957D+01  0.920518D+01  0.667271D+00  0.383301D+01  0.302135D+01
      4   0.831240D+01 -0.144840D+02 -0.106807D+02 -0.119108D+02 -0.789731D+00
      5  -0.148050D+02 -0.794314D+01 -0.363006D+01 -0.167793D+01 -0.260705D+01
      6   0.147840D+02  0.315061D+01  0.190134D+01  0.836605D+00  0.557127D+01
               121           122           123           124           125 
      1   0.477126D+01  0.256829D+01  0.268500D+01  0.326786D+00  0.379569D+01
      2  -0.152557D+02 -0.561409D+01 -0.327993D+01 -0.599150D+01 -0.629235D+01
      3   0.104844D+02  0.304580D+01  0.594931D+00  0.566471D+01  0.249666D+01
      4   0.354522D+01 -0.134155D+02 -0.220293D+01  0.188296D+01 -0.195985D+01
      5   0.356700D+01 -0.224992D+01  0.195338D+01  0.212261D+01 -0.159736D+01
      6  -0.698907D+01 -0.461399D+01  0.373864D+01  0.581680D+01  0.112279D+02
               126           127           128           129           130 
      1  -0.144410D+02 -0.545660D+01  0.891966D+01  0.196230D+01  0.762105D+01
      2   0.173133D+01  0.694104D+01 -0.108905D+02 -0.159373D+01 -0.942612D+01
      3   0.127096D+02 -0.148445D+01  0.197088D+01 -0.368574D+00  0.180507D+01
      4  -0.284894D+01 -0.380265D+01  0.742959D+01  0.123507D+01  0.506174D+01
      5   0.812281D+00 -0.860430D+00  0.124038D+01  0.138043D+01  0.940193D+00
      6   0.426400D+00  0.209638D+01 -0.271379D+01 -0.213804D+01 -0.242587D+01
               131           132           133           134           135 
      1  -0.340099D+02 -0.654289D+01  0.148399D+01 -0.621542D+01 -0.275095D+01
      2   0.452173D+02  0.617933D+01 -0.178540D+01  0.740510D+01  0.303460D+01
      3  -0.112074D+02  0.363552D+00  0.301405D+00 -0.118967D+01 -0.283645D+00
      4   0.550227D+00  0.399404D+00  0.110456D+01  0.209756D+00 -0.132594D+01
      5   0.563145D+00  0.114631D+00  0.663880D+00 -0.612615D+00 -0.452372D+00
      6   0.107271D+02  0.789995D+01 -0.789622D+00  0.416564D+01  0.246988D+01
               136           137           138           139           140 
      1   0.223416D+02  0.143564D+02  0.244122D+01  0.886198D+01  0.355137D+01
      2  -0.428006D+01  0.598121D+00 -0.918170D+00  0.657900D+01  0.165490D+02
      3  -0.180616D+02 -0.149545D+02 -0.152305D+01 -0.154410D+02 -0.201004D+02
      4   0.337142D+02  0.306248D+02  0.413916D+01  0.338073D+02  0.443730D+02
      5   0.638830D+01  0.469180D+01  0.625063D+01  0.632517D+01  0.739948D+01
      6   0.257104D+01  0.225738D+01  0.322544D+01  0.404742D+01  0.555773D+01
               141           142           143           144           145 
      1   0.714574D+00  0.133064D+01  0.289040D+00 -0.186160D+00  0.100411D+03
      2   0.789537D+00  0.848308D+00  0.218572D+01  0.979053D+00 -0.563574D+02
      3  -0.150411D+01 -0.217894D+01 -0.247476D+01 -0.792893D+00 -0.440538D+02
      4   0.652434D+01  0.577425D+01  0.702940D+01  0.349288D+01 -0.155994D+02
      5   0.600629D+01  0.278845D+01  0.315112D+01  0.170476D+01 -0.491062D+01
      6   0.590052D+01  0.224356D+01  0.319869D+01  0.184238D+01 -0.208732D+01
               146           147           148           149           150 
      1  -0.936670D+01 -0.392985D+01 -0.843633D+01  0.101334D+02  0.149349D+01
      2   0.456454D+01  0.260122D+01  0.354118D+01 -0.472707D+01 -0.120320D+01
      3   0.480216D+01  0.132862D+01  0.489514D+01 -0.540635D+01 -0.290286D+00
      4   0.982877D+01  0.353547D+00  0.165721D+02 -0.479559D+01 -0.962923D+00
      5   0.160860D+00  0.100279D+02  0.279879D+01 -0.894257D+00 -0.131780D+01
      6  -0.235652D-02 -0.735135D+00 -0.423014D+00 -0.214181D+00  0.151019D+01
               151           152           153           154           155 
      1  -0.410675D+01  0.157294D+01  0.374190D+01  0.500460D+01 -0.471046D+01
      2   0.227938D+01 -0.842604D+00 -0.251796D+01  0.377082D+01 -0.534021D+01
      3   0.182737D+01 -0.730339D+00 -0.122393D+01 -0.877542D+01  0.100507D+02
      4   0.301591D+01 -0.109971D+01 -0.870731D+00 -0.188036D+02  0.235083D+02
      5   0.373574D+01 -0.621955D+00 -0.950861D+00 -0.357052D+01  0.392714D+01
      6  -0.311316D+00  0.710771D+00  0.217047D+00  0.267468D+01 -0.293622D+01
               156           157           158           159           160 
      1  -0.100140D+01  0.135525D+01 -0.166698D+02 -0.308626D+01  0.176041D+00
      2  -0.301517D+00 -0.120660D+02  0.391758D+02  0.499110D+01 -0.181775D+01
      3   0.130292D+01  0.107108D+02 -0.225060D+02 -0.190484D+01  0.164171D+01
      4   0.431641D+01  0.242351D+02 -0.476878D+02 -0.850598D+01  0.482056D+01
      5   0.421287D+01  0.426945D+01 -0.777554D+01 -0.573737D+01  0.188923D+01
      6  -0.258003D+01 -0.442714D+01  0.106625D+02  0.832436D+01 -0.201331D+01
               161           162           163           164           165 
      1  -0.278906D+01 -0.206513D+01 -0.342900D+01 -0.634897D+01 -0.129461D+01
      2   0.616618D+01  0.284332D+01  0.556925D+01  0.910893D+01  0.105115D+01
      3  -0.337712D+01 -0.778195D+00 -0.214025D+01 -0.275996D+01  0.243464D+00
      4  -0.912752D+01 -0.345033D+01  0.927607D+01  0.840659D+01  0.663461D+00
      5  -0.264494D+01 -0.186123D+01 -0.255817D+00  0.633813D+00  0.187665D+01
      6   0.479921D+01  0.281314D+01  0.868271D+00  0.171164D+01  0.211625D+01
               166           167           168           169           170 
      1  -0.799238D+01 -0.204161D+02 -0.325054D+01 -0.145401D+01 -0.335775D+01
      2   0.110095D+02  0.274260D+02  0.274029D+01  0.234460D+01  0.421736D+01
      3  -0.301713D+01 -0.700991D+01  0.510253D+00 -0.890595D+00 -0.859613D+00
      4   0.841155D+01  0.869111D+01  0.836345D+00  0.917529D+00  0.119283D+01
      5   0.798429D+00  0.925838D+00  0.131367D+01  0.745615D+00  0.722152D+00
      6   0.219255D+01  0.472565D+01  0.509479D+01  0.573817D+00  0.214559D+01
               171 
      1  -0.726416D+00
      2   0.143345D+01
      3  -0.707035D+00
      4   0.184683D+01
      5   0.485198D+00
      6   0.116187D+01
 Leave Link  716 at Thu Aug 12 20:50:39 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129586D+03  0.910274D+00 -0.133479D+01
      2   0.910274D+00  0.103497D+03  0.570669D+01
      3  -0.133479D+01  0.570669D+01  0.725586D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.340839D+00 -0.797738D+01 -0.225382D+01
      2   0.118897D+02 -0.106465D+02  0.962153D+01
      3   0.157809D+01  0.408152D+02  0.100666D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.917343D+02 -0.383287D+01  0.725817D+01
      2   0.294302D+02  0.101314D+02  0.667545D+01
      3   0.623041D+02 -0.629851D+01 -0.139336D+02
      4   0.150949D+02 -0.805410D+02 -0.270647D+02
      5  -0.161983D+02 -0.277512D+02  0.284357D+02
      6  -0.118522D+02 -0.143118D+02  0.959653D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.558548D+01 -0.100560D+01  0.227936D+01 -0.275703D+01  0.207489D+01
      2  -0.100560D+01  0.796208D+00 -0.418980D+00  0.207489D+01 -0.307801D+01
      3   0.227936D+01 -0.418980D+00  0.290723D+01 -0.130514D+01 -0.407163D-01
                 6             7             8             9            10 
      1  -0.130514D+01  0.611504D+01 -0.111677D+01  0.395972D+01 -0.449327D+01
      2  -0.407163D-01 -0.111677D+01 -0.123397D+01 -0.316648D+01  0.134898D+00
      3  -0.343179D+01  0.395972D+01 -0.316648D+01  0.284243D+01 -0.679378D+00
                11            12            13            14            15 
      1   0.134898D+00 -0.679378D+00 -0.529510D+00 -0.238705D+01  0.195977D+01
      2  -0.732964D+00  0.154400D+01 -0.238705D+01  0.403427D+01  0.321292D+01
      3   0.154400D+01 -0.276468D+01  0.195977D+01  0.321292D+01  0.273828D+00
                16            17            18            19            20 
      1  -0.526189D+01  0.220873D+01 -0.560017D+01 -0.598277D+00  0.435481D+00
      2   0.220873D+01  0.337958D+01  0.182869D+01  0.435481D+00 -0.426505D+00
      3  -0.560017D+01  0.182869D+01 -0.192367D+01  0.671112D-01 -0.402975D+00
                21            22            23            24            25 
      1   0.671112D-01  0.220969D+01 -0.439025D-01  0.454854D+00  0.180152D+01
      2  -0.402975D+00 -0.439025D-01  0.214852D+01  0.185351D+01 -0.204670D+00
      3  -0.135136D+01  0.454854D+00  0.185351D+01  0.321185D+01  0.534765D+00
                26            27            28            29            30 
      1  -0.204670D+00  0.534765D+00  0.311370D+00 -0.119063D+01 -0.739181D+00
      2   0.182766D+01  0.127231D+01 -0.119063D+01  0.118634D+01  0.200068D+00
      3   0.127231D+01  0.435179D+01 -0.739181D+00  0.200068D+00  0.776093D+00
                31            32            33            34            35 
      1  -0.252823D+01  0.190576D+01  0.375662D+00 -0.961739D+00  0.413368D+00
      2   0.190576D+01 -0.614248D+01 -0.189575D+01  0.413368D+00 -0.224332D+01
      3   0.375662D+00 -0.189575D+01 -0.185894D+01  0.115546D+01 -0.168665D+01
                36            37            38            39            40 
      1   0.115546D+01 -0.897386D+01  0.196274D+01  0.259349D+00  0.472859D+01
      2  -0.168665D+01  0.196274D+01  0.116287D+01 -0.119211D+01  0.133008D+01
      3  -0.148612D+01  0.259349D+00 -0.119211D+01  0.322777D+01 -0.152969D+01
                41            42            43            44            45 
      1   0.133008D+01 -0.152969D+01 -0.124272D+01 -0.147115D+01  0.264200D+01
      2  -0.344159D+01 -0.291503D+01 -0.147115D+01 -0.280483D+01 -0.807379D+00
      3  -0.291503D+01 -0.162507D+00  0.264200D+01 -0.807379D+00  0.511970D+01
                46            47            48            49            50 
      1   0.182545D+02 -0.192804D+01  0.115914D+01 -0.340093D+01 -0.125161D+01
      2  -0.192804D+01  0.256567D+01 -0.315467D-01 -0.125161D+01 -0.712272D+00
      3   0.115914D+01 -0.315467D-01  0.216818D+01 -0.175735D+01 -0.441169D+00
                51            52            53            54            55 
      1  -0.175735D+01 -0.634453D+00 -0.105053D+01  0.401221D+01  0.485024D+00
      2  -0.441169D+00 -0.105053D+01 -0.300337D+00 -0.383073D+00  0.519361D+00
      3  -0.211514D+00  0.401221D+01 -0.383073D+00 -0.393140D+00  0.500848D+00
                56            57            58            59            60 
      1   0.519361D+00  0.500848D+00  0.186972D+01  0.885229D+00 -0.116487D+00
      2  -0.446913D-01  0.252150D+00  0.885229D+00  0.621351D+01  0.102289D+01
      3   0.252150D+00 -0.408479D+00 -0.116487D+00  0.102289D+01  0.167677D+01
                61            62            63            64            65 
      1   0.137132D+01  0.550218D+00 -0.202139D+00  0.177279D+00 -0.885484D-01
      2   0.550218D+00  0.203829D+01  0.124278D+01 -0.885484D-01 -0.508984D+00
      3  -0.202139D+00  0.124278D+01  0.594842D+00 -0.981402D+00  0.400814D+00
                66            67            68            69            70 
      1  -0.981402D+00 -0.508820D+00 -0.546029D-01  0.110276D+00 -0.169741D+01
      2   0.400814D+00 -0.546029D-01  0.749826D+00 -0.948888D+00 -0.193315D+00
      3  -0.205368D+01  0.110276D+00 -0.948888D+00  0.554267D+00  0.113654D+00
                71            72            73            74            75 
      1  -0.193315D+00  0.113654D+00  0.133902D+02 -0.468578D+00 -0.155250D+01
      2  -0.119218D+01  0.131383D+01 -0.468578D+00  0.108200D+01 -0.263013D-01
      3   0.131383D+01 -0.889625D+01 -0.155250D+01 -0.263013D-01  0.121714D+01
                76            77            78            79            80 
      1  -0.254564D+01  0.107264D+01  0.578413D+00 -0.894528D-01  0.160134D+00
      2   0.107264D+01 -0.285875D+00  0.168986D+00  0.160134D+00  0.344359D+00
      3   0.578413D+00  0.168986D+00 -0.480128D+00  0.115179D+01  0.300134D-02
                81            82            83            84            85 
      1   0.115179D+01 -0.575154D+01  0.263538D+01 -0.601088D-01 -0.661925D+01
      2   0.300134D-02  0.263538D+01  0.234293D+01  0.287907D+00  0.252664D+00
      3  -0.773973D+00 -0.601088D-01  0.287907D+00  0.769448D+00 -0.426546D+00
                86            87            88            89            90 
      1   0.252664D+00 -0.426546D+00 -0.118412D+01 -0.611005D+00  0.109687D+01
      2  -0.147985D+01  0.833312D+00 -0.611005D+00  0.119064D+01 -0.377064D+01
      3   0.833312D+00 -0.170537D+01  0.109687D+01 -0.377064D+01 -0.219923D+01
                91            92            93            94            95 
      1   0.271318D+01 -0.576296D+00  0.223499D+00 -0.575079D+01  0.926898D+00
      2  -0.576296D+00 -0.292346D+01 -0.685364D+00  0.926898D+00 -0.488045D+00
      3   0.223499D+00 -0.685364D+00 -0.137360D+01  0.566025D+00  0.104776D+01
                96            97            98            99           100 
      1   0.566025D+00 -0.114719D+01  0.707738D+00 -0.299417D+01 -0.562144D+01
      2   0.104776D+01  0.707738D+00  0.141521D+01 -0.311450D+01  0.159193D+00
      3  -0.135687D+01 -0.299417D+01 -0.311450D+01 -0.143681D+01 -0.290237D+00
               101           102           103           104           105 
      1   0.159193D+00 -0.290237D+00  0.868051D+00  0.533280D+00  0.142507D+01
      2  -0.327221D+01 -0.199312D+00  0.533280D+00 -0.102648D+00 -0.498726D+00
      3  -0.199312D+00 -0.229876D+01  0.142507D+01 -0.498726D+00  0.201014D+00
               106           107           108           109           110 
      1   0.353126D-01  0.115487D+01 -0.529173D+01  0.447619D+01 -0.747779D+00
      2   0.115487D+01 -0.138108D+00  0.437274D+00 -0.747779D+00 -0.192303D+01
      3  -0.529173D+01  0.437274D+00  0.551846D+00 -0.126597D+00  0.101632D+00
               111           112           113           114           115 
      1  -0.126597D+00  0.509194D+01 -0.156115D+00  0.335191D+00  0.122586D+01
      2   0.101632D+00 -0.156115D+00  0.107473D+01 -0.888410D+00  0.489956D+00
      3  -0.870732D+00  0.335191D+00 -0.888410D+00  0.155423D+01 -0.183804D+01
               116           117           118           119           120 
      1   0.489956D+00 -0.183804D+01 -0.455718D+01 -0.489020D+00 -0.202313D+00
      2  -0.117922D+01  0.380830D+01 -0.489020D+00  0.331502D+01  0.549136D+00
      3   0.380830D+01  0.221595D+01 -0.202313D+00  0.549136D+00  0.141887D+01
               121           122           123           124           125 
      1   0.887154D+01  0.572217D-01  0.361118D+00  0.182744D+01 -0.609214D-01
      2   0.572217D-01  0.126267D+01 -0.566878D+00 -0.609214D-01 -0.114106D+01
      3   0.361118D+00 -0.566878D+00  0.167263D+01  0.205260D+01  0.310720D+01
               126           127           128           129           130 
      1   0.205260D+01  0.156281D+01 -0.178926D+01 -0.395279D+00 -0.155668D+01
      2   0.310720D+01 -0.178926D+01  0.229014D+01  0.451788D+00  0.202932D+01
      3   0.142780D+01 -0.395279D+00  0.451788D+00  0.293579D+00  0.443285D+00
               131           132           133           134           135 
      1   0.202932D+01  0.443285D+00 -0.418404D+00  0.467012D+00 -0.907104D-03
      2  -0.881600D+01 -0.153862D+01  0.467012D+00 -0.161208D+01 -0.457157D+00
      3  -0.153862D+01 -0.115552D+01 -0.907104D-03 -0.457157D+00 -0.245628D+00
               136           137           138           139           140 
      1  -0.509805D+01 -0.394077D+01 -0.656382D+00 -0.382523D+01 -0.453118D+01
      2  -0.394077D+01 -0.360704D+01 -0.500109D+00 -0.453118D+01 -0.669524D+01
      3  -0.656382D+00 -0.500109D+00 -0.640935D+00 -0.783860D+00 -0.101244D+01
               141           142           143           144           145 
      1  -0.783860D+00 -0.653215D+00 -0.738398D+00 -0.265311D+00 -0.132893D+02
      2  -0.101244D+01 -0.738398D+00 -0.120700D+01 -0.320864D+00  0.136403D+01
      3  -0.923621D+00 -0.265311D+00 -0.320864D+00 -0.203890D+00  0.597491D+00
               146           147           148           149           150 
      1   0.136403D+01  0.597491D+00  0.139216D+01 -0.171740D+01 -0.339280D+00
      2  -0.927302D+00 -0.333933D-01 -0.171740D+01  0.488330D+00  0.975229D-01
      3  -0.333933D-01 -0.940770D+00 -0.339280D+00  0.975229D-01  0.146066D+00
               151           152           153           154           155 
      1   0.491581D+00 -0.358133D+00 -0.193848D+00 -0.229073D+01  0.264254D+01
      2  -0.358133D+00  0.893752D-01  0.496708D-01  0.264254D+01 -0.281253D+01
      3  -0.193848D+00  0.496708D-01  0.101862D+00  0.574736D+00 -0.536741D+00
               156           157           158           159           160 
      1   0.574736D+00  0.233163D+01 -0.381333D+01 -0.771800D+00  0.500927D+00
      2  -0.536741D+00 -0.381333D+01  0.949532D+01  0.173667D+01 -0.765850D+00
      3  -0.436211D+00 -0.771800D+00  0.173667D+01  0.120125D+01 -0.202429D+00
               161           162           163           164           165 
      1  -0.765850D+00 -0.202429D+00  0.371770D+01  0.237089D+01  0.218422D-01
      2   0.180246D+01  0.471974D+00  0.237089D+01  0.243753D+01  0.239338D+00
      3   0.471974D+00  0.266934D+00  0.218422D-01  0.239338D+00  0.360904D+00
               166           167           168           169           170 
      1   0.265878D+01  0.288721D+01  0.420491D+00 -0.783970D-01  0.418718D+00
      2   0.288721D+01  0.577483D+01  0.773064D+00  0.418718D+00  0.964544D+00
      3   0.420491D+00  0.773064D+00  0.794357D+00 -0.130312D+00  0.171705D+00
               171 
      1  -0.130312D+00
      2   0.171705D+00
      3   0.855490D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.822970D+00  0.408846D+01  0.139793D+01  0.909238D+00 -0.591526D+01
      2   0.145809D+01  0.739773D+00  0.126826D+02  0.295221D+01 -0.265912D+01
      3  -0.902691D+00 -0.837729D+01 -0.154539D+01 -0.436342D+01  0.656350D+01
                 6             7             8             9            10 
      1  -0.811515D+01  0.279846D+01  0.414603D-01 -0.183450D+00 -0.341038D-01
      2  -0.790202D+01  0.700771D+01 -0.811489D+01  0.456467D+01 -0.649510D+00
      3   0.209963D+01 -0.368261D+01  0.303735D+01  0.563706D+01  0.503729D+01
                11            12            13            14            15 
      1   0.429210D+00  0.150936D+00  0.103209D+01  0.986678D+00 -0.323032D+01
      2   0.111648D+01 -0.392549D+01  0.136058D+01  0.594778D+01  0.132645D+01
      3   0.270334D+01 -0.508879D+00  0.129559D+02 -0.778043D+01 -0.832751D+01
                16            17            18            19            20 
      1  -0.211085D+01  0.772462D+00 -0.128678D+01  0.242407D+01 -0.204250D+01
      2  -0.162928D+02  0.534786D+01 -0.553168D+01  0.433799D+01 -0.210078D+01
      3   0.439204D+00 -0.102310D+02 -0.175494D+01 -0.270627D+01  0.212190D+01
                21            22            23            24            25 
      1  -0.837627D+00 -0.165411D+01  0.617164D+01  0.369911D+01 -0.562916D+00
      2  -0.294460D+01 -0.325537D+01  0.518591D+01  0.767018D+01 -0.173345D+01
      3   0.986590D+00  0.380975D+01 -0.493431D+01 -0.476868D+01  0.305105D+00
                26            27            28            29            30 
      1   0.469343D+01  0.462395D+01 -0.146772D-01 -0.576652D+00  0.719634D+00
      2   0.366240D+01  0.950891D+01 -0.171704D+01  0.301842D+00  0.202214D+01
      3  -0.351934D+01 -0.394554D+01  0.332263D+01 -0.302120D+01 -0.141471D+00
                31            32            33            34            35 
      1  -0.736343D-01  0.140292D+01 -0.266537D+01  0.848625D+00  0.120948D+01
      2  -0.454627D+00 -0.345033D+01 -0.395272D+01  0.255607D+00 -0.302865D+01
      3   0.136843D+01  0.123026D+02  0.400208D+01  0.772191D+00  0.507599D+01
                36            37            38            39            40 
      1  -0.754084D+00 -0.234846D+01 -0.164192D+01 -0.141784D+01  0.572402D-01
      2  -0.225644D+01 -0.761382D+01 -0.787807D+00  0.113813D+02 -0.231155D+00
      3   0.290521D+01 -0.144910D+02 -0.627143D+01  0.381895D+01 -0.512201D+00
                41            42            43            44            45 
      1   0.595921D+01  0.170045D+01  0.760265D+00  0.647238D+01 -0.495232D+01
      2  -0.656190D+01 -0.263198D+01  0.269411D+01 -0.417821D+01  0.179987D+02
      3   0.128724D+02  0.845514D+01  0.296839D+01  0.865423D+01  0.386880D+01
                46            47            48            49            50 
      1   0.694552D+00  0.161368D+00  0.252247D+00  0.810970D+00 -0.214305D+01
      2   0.250389D+01 -0.152586D+01 -0.858543D+00 -0.127545D+01 -0.825643D+00
      3  -0.169835D+01  0.536170D+01  0.833598D+00  0.179672D+02 -0.173772D+01
                51            52            53            54            55 
      1   0.112998D+01  0.129055D+01  0.104489D+02  0.171826D+01 -0.153351D+01
      2   0.418406D+00 -0.160058D+02 -0.214540D+00 -0.102905D+01  0.161958D+01
      3   0.250843D+01  0.675810D+00  0.298627D+00 -0.108768D+01 -0.367227D+01
                56            57            58            59            60 
      1  -0.482542D-01  0.400219D+00  0.100003D+00 -0.790194D+01 -0.529457D+01
      2   0.852580D+00 -0.350669D+00  0.470690D+00  0.374958D+01  0.453312D+01
      3   0.786361D+00  0.432499D+00  0.322426D+01 -0.180458D+02 -0.440835D+01
                61            62            63            64            65 
      1  -0.662189D-01 -0.195491D+01 -0.249767D+01  0.784543D+00  0.112956D+01
      2  -0.120774D+01  0.328931D+01  0.162420D+01 -0.385350D+01  0.589076D+00
      3   0.163093D+01 -0.636347D+01 -0.425300D+01  0.168020D-01  0.885119D+00
                66            67            68            69            70 
      1   0.129772D+01  0.551826D+00 -0.384458D+00 -0.508770D+00  0.678162D+00
      2  -0.558639D+01 -0.154595D+00 -0.223617D+01  0.169364D+01 -0.460396D+01
      3  -0.153398D+01  0.147153D+01 -0.194488D+01  0.218303D+01 -0.130323D+01
                71            72            73            74            75 
      1   0.271212D+01  0.517175D+01  0.146267D+01 -0.163941D+01 -0.598450D+00
      2   0.314353D+01 -0.227378D+02  0.809403D+01 -0.617207D+00  0.484139D+01
      3   0.273671D+01 -0.414911D+01  0.954250D+01 -0.679924D+01 -0.822382D+00
                76            77            78            79            80 
      1  -0.121297D+01  0.177734D+00 -0.813766D+00 -0.667011D+00  0.217172D+00
      2  -0.643129D+00  0.152986D+01 -0.122519D+01  0.149206D+01  0.842012D-01
      3  -0.341411D+01  0.113892D+01 -0.796724D+00 -0.813392D+00 -0.899811D+00
                81            82            83            84            85 
      1   0.182148D+00 -0.107083D+01 -0.717536D+00  0.938879D+00 -0.133631D+01
      2  -0.126398D+01 -0.301334D+01  0.152699D+01 -0.669052D+00  0.144386D+01
      3   0.451241D+00  0.482221D+01 -0.467117D+01 -0.151018D+01  0.315900D+01
                86            87            88            89            90 
      1   0.336798D+00 -0.229991D+01  0.429517D+01  0.704384D+00 -0.295094D+00
      2   0.986446D+00  0.119709D+01 -0.131316D+02  0.187539D+01  0.242861D+01
      3  -0.586027D+01 -0.686778D+00 -0.217015D+01  0.646164D+00 -0.522444D+01
                91            92            93            94            95 
      1   0.117848D+00  0.268582D+00 -0.173690D+01  0.120353D+01 -0.148000D+00
      2   0.131480D+01  0.132875D+01  0.244386D+01 -0.134112D+01 -0.267014D+01
      3  -0.360479D+01 -0.101443D+02 -0.164175D+01  0.661697D+01 -0.285478D+00
                96            97            98            99           100 
      1  -0.164620D+01 -0.652773D+01  0.409231D+01  0.928062D+00  0.247069D-01
      2   0.393466D+01 -0.334427D+01  0.996404D+01  0.347694D+01 -0.111233D+01
      3   0.190368D+01  0.113043D+01  0.271983D+01 -0.443445D+01  0.247936D+01
               101           102           103           104           105 
      1   0.254909D+00  0.701426D+00 -0.189539D-01 -0.296320D+01  0.101361D+01
      2  -0.146304D+00  0.582452D+01 -0.423381D+01 -0.170261D+00 -0.978287D+00
      3  -0.613242D+01 -0.431064D-01  0.125581D+02  0.147847D+01 -0.577938D+00
               106           107           108           109           110 
      1   0.205668D+01  0.112323D+02  0.253835D+01  0.763037D+00 -0.174655D+00
      2   0.703413D+01 -0.234967D+01 -0.138303D+01  0.201596D+01  0.265987D+01
      3   0.344981D+01 -0.238503D+00  0.102681D+01 -0.271197D+01 -0.133891D+02
               111           112           113           114           115 
      1   0.192179D+01 -0.105068D+01  0.318315D+00 -0.244164D+01  0.511707D+01
      2   0.138555D+01  0.135474D+01  0.271115D+01 -0.358492D+01 -0.804776D+01
      3  -0.241356D+01  0.390474D+01  0.293527D+00 -0.176103D+01  0.736999D-01
               116           117           118           119           120 
      1   0.764598D+00 -0.104301D+01 -0.137311D+01 -0.171302D+00 -0.256606D+01
      2  -0.906464D+01 -0.377388D+01 -0.183405D+01  0.382500D+00 -0.134522D+01
      3  -0.296785D+01  0.450059D+01 -0.382331D+00 -0.299877D+00  0.844985D+00
               121           122           123           124           125 
      1   0.857070D+00 -0.493832D+00 -0.183927D+01 -0.749527D+01  0.298585D+01
      2   0.365597D+01 -0.714171D+00 -0.936827D+00 -0.125130D+02 -0.803072D+00
      3   0.806826D+00  0.576153D+01 -0.459329D+00 -0.214309D+01  0.612141D+00
               126           127           128           129           130 
      1   0.585403D-02  0.320700D-01 -0.252327D+00  0.144611D+01  0.110235D-01
      2  -0.719405D+00  0.124849D+01 -0.917226D+00  0.102081D+00 -0.122894D+01
      3   0.649929D+01 -0.589776D+01  0.384501D+01  0.979285D+00  0.680348D+01
               131           132           133           134           135 
      1   0.757788D+00 -0.405851D+01 -0.444591D+00  0.197839D+01 -0.350766D+00
      2   0.187860D+01 -0.159404D+00 -0.160444D+01  0.365822D+00 -0.132961D+00
      3  -0.886769D+01 -0.199471D+01  0.125620D+01 -0.157853D+01 -0.147903D+00
               136           137           138           139           140 
      1   0.202106D+00  0.559174D+00 -0.220470D+01 -0.894986D-01  0.464679D+00
      2  -0.581517D-01  0.590257D-01  0.284837D+01  0.724278D+00  0.136355D+01
      3  -0.155241D+01 -0.476224D+01 -0.272745D+00 -0.381369D+01 -0.111116D+02
               141           142           143           144           145 
      1  -0.315350D+01  0.739098D+00  0.137297D+01 -0.392354D+00 -0.102903D+00
      2   0.343724D+01 -0.697120D+00 -0.284129D+00  0.442075D+00 -0.919756D+00
      3  -0.134351D+01 -0.732101D+00 -0.212085D+01 -0.359121D+00  0.638308D+00
               146           147           148           149           150 
      1  -0.210407D+00  0.644492D+00  0.423478D-01 -0.771733D-02 -0.392948D+00
      2  -0.728170D-01  0.607786D+01  0.130968D+01 -0.304194D+00 -0.873015D+00
      3  -0.524343D+01  0.152691D+00 -0.394991D+01  0.147429D+01  0.229621D+00
               151           152           153           154           155 
      1  -0.315272D+00  0.445007D+00  0.162159D-01 -0.188990D+00 -0.120529D+00
      2  -0.216055D+01  0.800389D-01 -0.279766D+00 -0.310737D+00  0.388371D+00
      3  -0.135448D+01  0.474080D+00  0.269303D-01  0.734338D+00 -0.234251D+01
               156           157           158           159           160 
      1   0.159357D+01  0.263354D+00  0.316226D+00 -0.430359D+01 -0.566680D+00
      2   0.148761D+01  0.478251D+00 -0.246996D+01 -0.314593D+01 -0.386631D+00
      3  -0.228519D+00 -0.142195D+01  0.137134D+02  0.224011D+01 -0.362732D+00
               161           162           163           164           165 
      1   0.170473D+01 -0.555203D+00  0.983956D+00  0.704218D+00 -0.210338D+01
      2   0.625291D-02 -0.594039D+00 -0.217753D+01 -0.923241D+00  0.861960D+00
      3   0.273826D+01  0.545057D+00  0.105714D+02  0.400252D+01 -0.237569D+00
               166           167           168           169           170 
      1   0.264406D+00  0.211456D+00 -0.305895D+01  0.627450D+00  0.185519D+01
      2  -0.932072D+00 -0.129097D+01  0.117952D+01 -0.154102D+01 -0.235868D+00
      3   0.761567D+01  0.542436D+01  0.839412D+00 -0.139972D+00  0.926011D+00
               171 
      1  -0.229270D-01
      2   0.321332D+00
      3  -0.104798D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.203567D+02 -0.327176D+01  0.173729D+01 -0.343990D+01  0.468990D+01
      2  -0.140570D+02 -0.355460D+00 -0.734740D+01  0.118932D+01  0.447447D+01
      3  -0.629974D+01  0.362722D+01  0.561012D+01  0.225058D+01 -0.916437D+01
      4  -0.531278D+01  0.139029D+02 -0.272693D+01  0.165645D+02 -0.155727D+02
      5   0.154704D+02 -0.337737D+01  0.221215D+02 -0.834711D+01  0.255649D+01
      6  -0.443932D+01  0.521635D+01 -0.902073D+00  0.506718D+01 -0.103168D+02
                 6             7             8             9            10 
      1   0.822100D+01  0.363826D+01  0.517821D+01  0.527647D+00  0.762207D+01
      2   0.453016D+01 -0.132194D+02  0.378116D+01 -0.119420D+02 -0.294327D+01
      3  -0.127512D+02  0.958116D+01 -0.895938D+01  0.114144D+02 -0.467880D+01
      4   0.477668D+00 -0.586039D+01 -0.233067D+01 -0.144515D+02 -0.250548D+01
      5  -0.134724D+02  0.307435D+02 -0.124221D+02  0.206101D+02 -0.614016D+01
      6   0.286925D+01 -0.483917D+01  0.691439D+01 -0.130773D+02  0.384857D+01
                11            12            13            14            15 
      1  -0.322021D+01  0.129449D+01 -0.980830D+01  0.121289D+01  0.579870D+01
      2   0.132625D+01  0.167939D+01  0.736245D+01 -0.628065D+01 -0.104387D+02
      3   0.189396D+01 -0.297389D+01  0.244585D+01  0.506777D+01  0.464000D+01
      4  -0.127923D+02  0.626844D+01 -0.134515D+02  0.181973D+02  0.157833D+02
      5   0.658355D+01 -0.175127D+02  0.133755D+02  0.150509D+02  0.753837D-01
      6   0.174033D+01  0.637703D+00  0.580793D+01 -0.577420D+01 -0.549284D+01
                16            17            18            19            20 
      1  -0.286895D+01  0.546457D+01 -0.627503D+01 -0.646844D+00  0.231227D+01
      2   0.103845D+02 -0.567553D+01  0.761811D+01 -0.771898D-01  0.267554D+00
      3  -0.751553D+01  0.210965D+00 -0.134308D+01  0.724034D+00 -0.257983D+01
      4   0.132283D+02  0.152478D+02  0.719139D+01  0.166557D+01 -0.309181D+01
      5  -0.367237D+02  0.648823D+01 -0.102420D+02  0.977925D+00 -0.386369D+00
      6   0.443063D+01 -0.112279D+02  0.521214D+01  0.150924D+01 -0.181612D+01
                21            22            23            24            25 
      1   0.592904D+01  0.458696D+01 -0.655290D+01 -0.653096D+01  0.459510D+01
      2   0.759951D+00 -0.306938D+01 -0.559357D+00 -0.421743D+01 -0.300287D+01
      3  -0.668899D+01 -0.151758D+01  0.711225D+01  0.107484D+02 -0.159223D+01
      4  -0.166252D+01 -0.248969D+00  0.901545D+01  0.773813D+01 -0.150415D+01
      5  -0.269005D+01  0.389679D+01  0.594041D+01  0.114396D+02  0.548089D+01
      6  -0.138378D+01 -0.440136D+00  0.707237D+01  0.829860D+01 -0.990301D+00
                26            27            28            29            30 
      1  -0.388836D+01 -0.930997D+01  0.238002D+01 -0.321640D+01 -0.178035D+01
      2  -0.281269D+01 -0.681600D+01  0.169269D+01  0.411755D+00  0.446536D+00
      3   0.670105D+01  0.161260D+02 -0.407271D+01  0.280464D+01  0.133381D+01
      4   0.693499D+01  0.543641D+01 -0.759445D+01  0.108480D+02  0.224991D+01
      5   0.406873D+01  0.140496D+02 -0.371506D+01  0.210945D+01  0.559820D+01
      6   0.628393D+01  0.453016D+01  0.285507D+01 -0.192703D+01 -0.806423D+00
                31            32            33            34            35 
      1  -0.221500D+01 -0.975670D+01 -0.322015D+01 -0.133158D+01 -0.417952D+01
      2  -0.199063D+01  0.187338D+02  0.519636D+01 -0.403492D-02  0.349977D+01
      3   0.420562D+01 -0.897710D+01 -0.197621D+01  0.133562D+01  0.679758D+00
      4   0.126435D+02 -0.274643D+02 -0.857666D+01  0.304248D+01 -0.102029D+02
      5   0.293254D+01 -0.771094D+01 -0.772888D+01  0.712931D+01 -0.660606D+01
      6  -0.313294D+01  0.107402D+02  0.771171D+01 -0.274719D+01  0.931387D+01
                36            37            38            39            40 
      1  -0.340733D+01 -0.555140D+02  0.736219D+01  0.107311D+02  0.178819D+02
      2   0.127336D+01  0.328166D+02 -0.263580D+01  0.961472D+00 -0.109603D+02
      3   0.213397D+01  0.226974D+02 -0.472639D+01 -0.116925D+02 -0.692168D+01
      4  -0.750463D+01  0.860184D+01  0.994389D+01 -0.500994D+01  0.101494D+02
      5  -0.590035D+01  0.128124D+02 -0.744998D+01  0.150037D+02 -0.132011D+02
      6   0.656895D+01 -0.495338D+01 -0.382077D+01  0.580563D+01 -0.503033D+01
                41            42            43            44            45 
      1   0.766109D+01 -0.413503D+01  0.238509D+00 -0.260922D+01  0.251695D+02
      2  -0.152792D+02 -0.318490D+01  0.208174D+01 -0.662969D+01  0.112903D+01
      3   0.761812D+01  0.731993D+01 -0.232025D+01  0.923890D+01 -0.262986D+02
      4  -0.162625D+02 -0.164674D+02 -0.874659D+01 -0.160370D+02  0.766415D+00
      5  -0.174007D+02  0.102440D+01  0.144656D+02 -0.192687D+01  0.152189D+02
      6  -0.226947D+01  0.473782D+01  0.397117D+01  0.363122D+01  0.390310D+01
                46            47            48            49            50 
      1  -0.183092D+02  0.411889D+01  0.171693D+01  0.113185D+01 -0.784767D+01
      2   0.334888D+01 -0.317072D+01 -0.199530D+01  0.365212D+01  0.135301D+02
      3   0.149603D+02 -0.948172D+00  0.278374D+00 -0.478397D+01 -0.568239D+01
      4  -0.152636D+01  0.549273D+01 -0.825940D+00 -0.920723D+01  0.777536D+00
      5   0.909698D+01 -0.857503D+00  0.496120D+01 -0.670023D+01 -0.132660D+01
      6  -0.371148D+01 -0.556018D-02 -0.236062D+01  0.174689D+01  0.414175D+01
                51            52            53            54            55 
      1  -0.722103D+00  0.177635D+01 -0.111396D+01 -0.756645D+01  0.509972D+01
      2   0.628732D+01  0.167431D+01  0.308389D+01 -0.371541D+01 -0.190982D+00
      3  -0.556522D+01 -0.345066D+01 -0.196993D+01  0.112819D+02 -0.490874D+01
      4  -0.187656D+01 -0.408200D+01 -0.845470D+00 -0.792819D-01  0.268830D+01
      5  -0.680288D-01  0.671950D+01 -0.226720D+00  0.272804D+00  0.828689D+00
      6  -0.112612D+01 -0.116989D+01  0.481307D+01 -0.287144D+01  0.102399D+01
                56            57            58            59            60 
      1   0.329173D+01 -0.114851D+00  0.594784D+01 -0.998766D+01 -0.105367D+01
      2  -0.127363D+01 -0.480665D+00 -0.106074D+01  0.259186D+02  0.612141D+01
      3  -0.201810D+01  0.595516D+00 -0.488711D+01 -0.159310D+02 -0.506774D+01
      4   0.284052D+01  0.203681D+01  0.961709D+01  0.321049D+02  0.545775D+01
      5   0.907419D+00 -0.107003D+01 -0.155160D+01  0.630519D+01  0.852129D+01
      6   0.510155D+00 -0.117072D+01 -0.104044D+01 -0.359340D+01  0.426371D+01
                61            62            63            64            65 
      1   0.445069D+01 -0.307224D+00 -0.476343D+01 -0.316382D+00  0.952687D+00
      2  -0.201057D+01  0.578582D+01  0.348019D+01 -0.330386D+01 -0.465214D+00
      3  -0.244013D+01 -0.547859D+01  0.128324D+01  0.362024D+01 -0.487473D+00
      4   0.515226D+01  0.111014D+02  0.560549D+01 -0.129836D+01 -0.150395D+01
      5  -0.291957D+00  0.615848D+01  0.403765D+01 -0.191743D+01  0.105745D+01
      6  -0.563149D-01  0.365338D+01  0.255371D+01 -0.893373D+00  0.227444D+01
                66            67            68            69            70 
      1  -0.110151D+02 -0.165796D+01 -0.539828D+01  0.300816D+01 -0.853530D+01
      2  -0.606678D+00  0.117196D+01  0.209684D+01 -0.125664D+01  0.427642D+01
      3   0.116218D+02  0.486007D+00  0.330144D+01 -0.175152D+01  0.425889D+01
      4  -0.440298D+00  0.948023D+00  0.312181D+01 -0.341494D+01 -0.320029D+01
      5  -0.239163D+01  0.740650D+00 -0.266511D+01  0.220783D+01  0.772178D+01
      6  -0.289330D+01  0.421518D+00 -0.245385D+01  0.811896D+01  0.404165D-01
                71            72            73            74            75 
      1   0.396345D+01 -0.274823D+02  0.882381D+02 -0.484383D+01 -0.732373D+01
      2   0.122168D-01 -0.147142D+02 -0.489074D+02  0.363550D+01  0.657194D+01
      3  -0.397567D+01  0.421965D+02 -0.393307D+02  0.120833D+01  0.751788D+00
      4  -0.497183D+01  0.325032D+01  0.370015D+01  0.101761D+02 -0.488567D+00
      5   0.540208D+01 -0.347026D+02 -0.255322D+02  0.988190D+00  0.126812D+02
      6   0.749231D+01 -0.128112D+02  0.841834D+00 -0.265906D+01  0.893575D+00
                76            77            78            79            80 
      1  -0.152809D+02  0.714971D+01  0.147924D+01  0.468240D+00  0.268310D+00
      2   0.921723D+01 -0.186921D+01 -0.124608D+01  0.193337D+01  0.544180D+00
      3   0.606366D+01 -0.528049D+01 -0.233169D+00 -0.240161D+01 -0.812490D+00
      4   0.985493D+01 -0.222527D+01  0.612247D+00  0.684711D+00  0.141382D+01
      5   0.597614D+01 -0.708003D+00 -0.340987D+01  0.117572D+02 -0.542070D+00
      6  -0.249237D+01  0.133178D+01  0.771676D+00  0.509201D+00  0.873445D+00
                81            82            83            84            85 
      1   0.485543D+01  0.118511D+02  0.840156D+01  0.131799D+01 -0.125030D+01
      2  -0.538892D+01 -0.772221D+01 -0.626274D+01  0.977408D+00  0.988100D+01
      3   0.533490D+00 -0.412891D+01 -0.213882D+01 -0.229540D+01 -0.863070D+01
      4  -0.172945D+00  0.570039D+01 -0.177269D+02 -0.305877D+01  0.987148D+01
      5  -0.518467D+01 -0.266724D+01 -0.255822D+01 -0.413640D+01 -0.533995D-02
      6  -0.606407D+00 -0.560339D+00 -0.546254D-01 -0.263611D+01  0.511638D+01
                86            87            88            89            90 
      1   0.945726D+01  0.457983D+01 -0.195283D+01  0.381195D+01 -0.151065D+02
      2  -0.145023D+02 -0.577908D+01  0.408141D+01 -0.956166D+01  0.186942D+01
      3   0.504501D+01  0.119925D+01 -0.212857D+01  0.574972D+01  0.132371D+02
      4   0.144954D+02  0.209502D+01 -0.794747D+00  0.196231D+01  0.609594D+01
      5   0.210198D+01  0.138327D+00  0.392176D+01  0.518790D+01  0.351143D+01
      6  -0.850923D+01  0.407911D+01 -0.232662D+01  0.147981D+02  0.396035D+01
                91            92            93            94            95 
      1  -0.844995D+00 -0.222016D+02 -0.522128D+01  0.270466D+02  0.378042D+01
      2  -0.317054D+01  0.140386D+02  0.571937D+00 -0.242799D+02 -0.727032D+01
      3   0.401553D+01  0.816303D+01  0.464934D+01 -0.276664D+01  0.348990D+01
      4  -0.150130D+02  0.169627D+01  0.808941D+00 -0.115660D+01 -0.118762D+02
      5   0.682784D-01 -0.382195D+00  0.522447D+01 -0.581187D+01 -0.699475D+01
      6  -0.710141D+00  0.164293D+01  0.502440D+01 -0.643543D+01 -0.586116D+01
                96            97            98            99           100 
      1   0.474762D+00  0.586294D+01  0.189276D+01  0.221857D+01 -0.144814D+02
      2  -0.788184D+00 -0.882441D+01 -0.593183D+01 -0.806432D+01  0.102236D+02
      3   0.313422D+00  0.296147D+01  0.403908D+01  0.584575D+01  0.425778D+01
      4  -0.797955D+01 -0.309944D+01 -0.864991D+01  0.150471D+02  0.340554D+01
      5   0.782442D+01  0.187760D+02  0.152995D+02  0.763572D+01  0.181540D+01
      6   0.308106D+01  0.745739D+01  0.112957D+02 -0.217906D+00  0.161493D+01
               101           102           103           104           105 
      1   0.509551D+01  0.292564D+01 -0.803354D+01 -0.202726D+02 -0.744909D+01
      2  -0.389825D+01 -0.137930D+01  0.677370D+01  0.170460D+02  0.781802D+01
      3  -0.119726D+01 -0.154634D+01  0.125984D+01  0.322664D+01 -0.368931D+00
      4   0.218948D+02  0.147300D+01 -0.175086D+02  0.312883D+01  0.329349D+01
      5   0.125782D+01  0.138953D+02 -0.993607D+01  0.912995D+00 -0.132698D+01
      6  -0.265139D+00 -0.171713D+01  0.286878D+01  0.368934D+01 -0.161498D+01
               106           107           108           109           110 
      1   0.102474D+01 -0.747362D+01  0.149733D+02  0.905068D+01  0.192590D+02
      2   0.148715D+01  0.587284D+01 -0.171783D+02 -0.965269D+01 -0.121087D+02
      3  -0.251190D+01  0.160078D+01  0.220499D+01  0.602007D+00 -0.715027D+01
      4  -0.114385D+02  0.182012D+01 -0.354444D+01  0.142949D+02 -0.607005D+01
      5   0.355011D+02 -0.356221D+01 -0.243607D+01  0.440636D+01 -0.116161D+01
      6  -0.227154D+01  0.462387D+01 -0.351881D+01 -0.444998D+01  0.108625D-01
               111           112           113           114           115 
      1   0.304993D+01 -0.216970D+02  0.117091D+02  0.373147D+01 -0.423300D+01
      2  -0.291436D+00  0.189450D+02 -0.160694D+02 -0.565048D+01  0.615464D+01
      3  -0.275849D+01  0.275201D+01  0.436025D+01  0.191901D+01 -0.192164D+01
      4  -0.283535D+01  0.987670D+01  0.575451D+01  0.543439D+01 -0.897406D+00
      5  -0.267624D+00 -0.673796D-01  0.596942D+01 -0.755794D+01  0.124393D+02
      6  -0.395089D+01  0.423330D+01 -0.933548D+01  0.439217D+01 -0.661745D+01
               116           117           118           119           120 
      1   0.189276D+01 -0.577807D+01 -0.576397D+00 -0.156762D+02 -0.320441D+01
      2  -0.861233D+01 -0.342711D+01 -0.908737D-01  0.118432D+02  0.183060D+00
      3   0.671957D+01  0.920518D+01  0.667271D+00  0.383301D+01  0.302135D+01
      4   0.831240D+01 -0.144840D+02 -0.106807D+02 -0.119108D+02 -0.789731D+00
      5  -0.148050D+02 -0.794314D+01 -0.363006D+01 -0.167793D+01 -0.260705D+01
      6   0.147840D+02  0.315061D+01  0.190134D+01  0.836605D+00  0.557127D+01
               121           122           123           124           125 
      1   0.477126D+01  0.256829D+01  0.268500D+01  0.326786D+00  0.379569D+01
      2  -0.152557D+02 -0.561409D+01 -0.327993D+01 -0.599150D+01 -0.629235D+01
      3   0.104844D+02  0.304580D+01  0.594931D+00  0.566471D+01  0.249666D+01
      4   0.354522D+01 -0.134155D+02 -0.220293D+01  0.188296D+01 -0.195985D+01
      5   0.356700D+01 -0.224992D+01  0.195338D+01  0.212261D+01 -0.159736D+01
      6  -0.698907D+01 -0.461399D+01  0.373864D+01  0.581680D+01  0.112279D+02
               126           127           128           129           130 
      1  -0.144410D+02 -0.545660D+01  0.891966D+01  0.196230D+01  0.762105D+01
      2   0.173133D+01  0.694104D+01 -0.108905D+02 -0.159373D+01 -0.942612D+01
      3   0.127096D+02 -0.148445D+01  0.197088D+01 -0.368574D+00  0.180507D+01
      4  -0.284894D+01 -0.380265D+01  0.742959D+01  0.123507D+01  0.506174D+01
      5   0.812281D+00 -0.860430D+00  0.124038D+01  0.138043D+01  0.940193D+00
      6   0.426400D+00  0.209638D+01 -0.271379D+01 -0.213804D+01 -0.242587D+01
               131           132           133           134           135 
      1  -0.340099D+02 -0.654289D+01  0.148399D+01 -0.621542D+01 -0.275095D+01
      2   0.452173D+02  0.617933D+01 -0.178540D+01  0.740510D+01  0.303460D+01
      3  -0.112074D+02  0.363552D+00  0.301405D+00 -0.118967D+01 -0.283645D+00
      4   0.550227D+00  0.399404D+00  0.110456D+01  0.209756D+00 -0.132594D+01
      5   0.563145D+00  0.114631D+00  0.663880D+00 -0.612615D+00 -0.452372D+00
      6   0.107271D+02  0.789995D+01 -0.789622D+00  0.416564D+01  0.246988D+01
               136           137           138           139           140 
      1   0.223416D+02  0.143564D+02  0.244122D+01  0.886198D+01  0.355137D+01
      2  -0.428006D+01  0.598121D+00 -0.918170D+00  0.657900D+01  0.165490D+02
      3  -0.180616D+02 -0.149545D+02 -0.152305D+01 -0.154410D+02 -0.201004D+02
      4   0.337142D+02  0.306248D+02  0.413916D+01  0.338073D+02  0.443730D+02
      5   0.638830D+01  0.469180D+01  0.625063D+01  0.632517D+01  0.739948D+01
      6   0.257104D+01  0.225738D+01  0.322544D+01  0.404742D+01  0.555773D+01
               141           142           143           144           145 
      1   0.714574D+00  0.133064D+01  0.289040D+00 -0.186160D+00  0.100411D+03
      2   0.789537D+00  0.848308D+00  0.218572D+01  0.979053D+00 -0.563574D+02
      3  -0.150411D+01 -0.217894D+01 -0.247476D+01 -0.792893D+00 -0.440538D+02
      4   0.652434D+01  0.577425D+01  0.702940D+01  0.349288D+01 -0.155994D+02
      5   0.600629D+01  0.278845D+01  0.315112D+01  0.170476D+01 -0.491062D+01
      6   0.590052D+01  0.224356D+01  0.319869D+01  0.184238D+01 -0.208732D+01
               146           147           148           149           150 
      1  -0.936670D+01 -0.392985D+01 -0.843633D+01  0.101334D+02  0.149349D+01
      2   0.456454D+01  0.260122D+01  0.354118D+01 -0.472707D+01 -0.120320D+01
      3   0.480216D+01  0.132862D+01  0.489514D+01 -0.540635D+01 -0.290286D+00
      4   0.982877D+01  0.353547D+00  0.165721D+02 -0.479559D+01 -0.962923D+00
      5   0.160860D+00  0.100279D+02  0.279879D+01 -0.894257D+00 -0.131780D+01
      6  -0.235652D-02 -0.735135D+00 -0.423014D+00 -0.214181D+00  0.151019D+01
               151           152           153           154           155 
      1  -0.410675D+01  0.157294D+01  0.374190D+01  0.500460D+01 -0.471046D+01
      2   0.227938D+01 -0.842604D+00 -0.251796D+01  0.377082D+01 -0.534021D+01
      3   0.182737D+01 -0.730339D+00 -0.122393D+01 -0.877542D+01  0.100507D+02
      4   0.301591D+01 -0.109971D+01 -0.870731D+00 -0.188036D+02  0.235083D+02
      5   0.373574D+01 -0.621955D+00 -0.950861D+00 -0.357052D+01  0.392714D+01
      6  -0.311316D+00  0.710771D+00  0.217047D+00  0.267468D+01 -0.293622D+01
               156           157           158           159           160 
      1  -0.100140D+01  0.135525D+01 -0.166698D+02 -0.308626D+01  0.176041D+00
      2  -0.301517D+00 -0.120660D+02  0.391758D+02  0.499110D+01 -0.181775D+01
      3   0.130292D+01  0.107108D+02 -0.225060D+02 -0.190484D+01  0.164171D+01
      4   0.431641D+01  0.242351D+02 -0.476878D+02 -0.850598D+01  0.482056D+01
      5   0.421287D+01  0.426945D+01 -0.777554D+01 -0.573737D+01  0.188923D+01
      6  -0.258003D+01 -0.442714D+01  0.106625D+02  0.832436D+01 -0.201331D+01
               161           162           163           164           165 
      1  -0.278906D+01 -0.206513D+01 -0.342900D+01 -0.634897D+01 -0.129461D+01
      2   0.616618D+01  0.284332D+01  0.556925D+01  0.910893D+01  0.105115D+01
      3  -0.337712D+01 -0.778195D+00 -0.214025D+01 -0.275996D+01  0.243464D+00
      4  -0.912752D+01 -0.345033D+01  0.927607D+01  0.840659D+01  0.663461D+00
      5  -0.264494D+01 -0.186123D+01 -0.255817D+00  0.633813D+00  0.187665D+01
      6   0.479921D+01  0.281314D+01  0.868271D+00  0.171164D+01  0.211625D+01
               166           167           168           169           170 
      1  -0.799238D+01 -0.204161D+02 -0.325054D+01 -0.145401D+01 -0.335775D+01
      2   0.110095D+02  0.274260D+02  0.274029D+01  0.234460D+01  0.421736D+01
      3  -0.301713D+01 -0.700991D+01  0.510253D+00 -0.890595D+00 -0.859613D+00
      4   0.841155D+01  0.869111D+01  0.836345D+00  0.917529D+00  0.119283D+01
      5   0.798429D+00  0.925838D+00  0.131367D+01  0.745615D+00  0.722152D+00
      6   0.219255D+01  0.472565D+01  0.509479D+01  0.573817D+00  0.214559D+01
               171 
      1  -0.726416D+00
      2   0.143345D+01
      3  -0.707035D+00
      4   0.184683D+01
      5   0.485198D+00
      6   0.116187D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643137D+00      0.163469D+01      0.545275D+01
   x         -0.414972D+00     -0.105475D+01     -0.351828D+01
   y          0.430442D+00      0.109407D+01      0.364944D+01
   z         -0.236947D+00     -0.602259D+00     -0.200892D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947017D+02      0.140333D+02      0.156142D+02
   aniso      0.477336D+02      0.707338D+01      0.787020D+01
   xx         0.120315D+03      0.178288D+02      0.198373D+02
   yx         0.658091D+00      0.975190D-01      0.108504D+00
   yy         0.970347D+02      0.143791D+02      0.159989D+02
   zx        -0.168596D+01     -0.249834D+00     -0.277977D+00
   zy         0.591442D+01      0.876426D+00      0.975156D+00
   zz         0.667553D+02      0.989212D+01      0.110065D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.101881D+03      0.150971D+02      0.167978D+02
   aniso      0.505024D+02      0.748368D+01      0.832672D+01
   xx         0.129586D+03      0.192026D+02      0.213658D+02
   yx         0.910274D+00      0.134889D+00      0.150084D+00
   yy         0.103497D+03      0.153367D+02      0.170644D+02
   zx        -0.133479D+01     -0.197796D+00     -0.220078D+00
   zy         0.570669D+01      0.845644D+00      0.940906D+00
   zz         0.725586D+02      0.107521D+02      0.119633D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8          1.06769431         -2.11508468         -4.15855482
     6          2.09106880         -0.30135558         -2.41856796
     1          0.42917632         -3.52524239         -3.19773248
     1          2.30108628          1.40968632         -3.55141128
     6          4.69568660         -1.11614513         -1.50044667
     6          0.22793453          0.25468875         -0.31926551
     1          4.60407522         -2.88607999         -0.44456533
     1          5.52493693          0.31960982         -0.27291979
     1          5.93541503         -1.40762384         -3.11920623
     6         -1.33996906          2.36446622         -0.47735407
     6         -3.12791380          2.86092163          1.37958643
     6         -3.38144689          1.23735887          3.42798868
     6         -1.83254271         -0.87626101          3.60663543
     6         -0.03887991         -1.35708526          1.75072863
     1         -1.15766375          3.62580393         -2.07949126
     1         -4.32445908          4.51305342          1.22607504
     1         -4.77269304          1.61821220          4.87797413
     1         -2.01243294         -2.14636733          5.20028364
     1          1.16740130         -2.99990985          1.93360185

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643137D+00      0.163469D+01      0.545275D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.643137D+00      0.163469D+01      0.545275D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947017D+02      0.140333D+02      0.156142D+02
   aniso      0.477336D+02      0.707338D+01      0.787020D+01
   xx         0.950926D+02      0.140913D+02      0.156787D+02
   yx        -0.168015D+02     -0.248972D+01     -0.277019D+01
   yy         0.906823D+02      0.134377D+02      0.149515D+02
   zx        -0.209882D+02     -0.311013D+01     -0.346048D+01
   zy        -0.468700D+01     -0.694541D+00     -0.772781D+00
   zz         0.983301D+02      0.145710D+02      0.162124D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.101881D+03      0.150971D+02      0.167978D+02
   aniso      0.505024D+02      0.748368D+01      0.832672D+01
   xx         0.102520D+03      0.151919D+02      0.169033D+02
   yx        -0.179842D+02     -0.266499D+01     -0.296520D+01
   yy         0.971976D+02      0.144032D+02      0.160257D+02
   zx        -0.221695D+02     -0.328518D+01     -0.365526D+01
   zy        -0.398752D+01     -0.590889D+00     -0.657453D+00
   zz         0.105924D+03      0.156963D+02      0.174645D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-35\Freq\RB3LYP\Gen\C8H10O1\PIERPA\12-Aug-2021\0\\#P B
 3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm,
 MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculati
 ons.\\0,1\O,2.16622,-0.541659,1.195302\C,1.64602,-0.400115,-0.135719\H
 ,1.838555,0.193959,1.725431\H,1.824407,-1.375317,-0.592567\C,2.427578,
 0.650046,-0.915467\C,0.1504,-0.165668,-0.105785\H,2.328899,1.638727,-0
 .463185\H,2.074,0.712216,-1.946429\H,3.485412,0.387513,-0.919933\C,-0.
 725222,-1.234479,-0.286837\C,-2.100455,-1.052102,-0.21422\C,-2.622082,
 0.208958,0.048005\C,-1.759833,1.283245,0.232897\C,-0.385458,1.096625,0
 .15259\H,-0.321703,-2.220444,-0.483457\H,-2.764487,-1.894375,-0.360877
 \H,-3.693001,0.3546,0.105456\H,-2.1581,2.269728,0.433453\H,0.270579,1.
 94761,0.286902\\Version=ES64L-G16RevA.03\State=1-A\HF=-386.2755634\RMS
 D=3.962e-09\RMSF=5.420e-06\ZeroPoint=0.1606776\Thermal=0.1692599\Dipol
 e=-0.4149719,0.4304419,-0.2369469\DipoleDeriv=-0.7906852,-0.0411031,-0
 .1481094,-0.0771915,-0.2961364,0.1243938,-0.2419024,0.1766049,-0.86622
 19,0.7201634,0.0006531,0.0550617,0.0141559,0.3196781,-0.116612,0.05436
 65,-0.1335582,0.7572262,0.3304118,0.0897745,0.040546,0.0911315,0.12618
 5,-0.0599682,0.0689233,-0.0176564,0.2919072,-0.0013602,-0.0152685,0.00
 24376,0.0271379,-0.1167344,-0.0611669,0.0102675,-0.031591,-0.0249179,-
 0.0652207,-0.0827365,0.0811998,-0.0476273,-0.0020972,0.1187449,0.01570
 29,0.0733718,0.0052561,0.0345053,0.0042607,-0.0125298,-0.0278728,-0.07
 33854,0.0335754,0.1242589,-0.0034973,-0.126412,0.0684508,0.0438186,0.0
 331344,0.0026643,-0.0960664,-0.0491933,0.0201465,-0.0927338,-0.001541,
 0.0450927,-0.003572,-0.0776857,-0.0080596,0.0475018,0.0039271,-0.04761
 04,0.0276141,-0.1144327,-0.1628114,0.0157237,0.0303881,0.0331863,0.049
 4455,0.0078671,0.0069539,0.0102073,0.0708847,-0.1085535,-0.063684,-0.0
 046602,-0.0468317,0.0719028,0.0302313,-0.0072801,0.0288775,-0.1090946,
 0.0067658,0.0851607,0.0120134,0.0810104,0.0543548,0.0388279,0.0032067,
 0.0318466,-0.1136023,0.0578705,-0.0235443,-0.0137537,-0.0197186,-0.069
 5386,0.0103081,-0.0083406,0.0157629,-0.1343327,-0.0111641,-0.0487605,-
 0.0043976,-0.058333,0.0954604,0.047894,-0.0243124,0.0409656,-0.1238883
 ,-0.0954603,0.0563351,-0.0066017,0.0764731,-0.0033192,0.0104243,0.0110
 82,0.0119444,-0.1229477,0.0391505,0.0750022,0.0190777,0.0535354,-0.051
 9935,-0.0364216,0.0157533,-0.03463,0.1144912,-0.0085201,-0.0793029,-0.
 01086,-0.0863896,-0.0314464,-0.0297958,-0.011956,-0.0315167,0.1250713,
 -0.1021113,0.0223435,0.0115887,0.0221607,0.0685733,-0.0134223,0.011852
 7,-0.0141421,0.1322396,0.0318674,0.0524507,0.0130364,0.06572,-0.072357
 4,-0.041213,0.0153817,-0.0389588,0.1232214,0.0116087,-0.0875508,-0.019
 8858,-0.0951515,-0.0200266,-0.0184007,-0.016494,-0.0189108,0.1170934\P
 olar=120.3150089,0.6580906,97.034688,-1.6859601,5.9144176,66.7553385\Q
 uadrupole=-0.2567235,2.2185791,-1.9618556,1.9973086,-1.9179414,3.07438
 15\PG=C01 [X(C8H10O1)]\NImag=0\\0.16311466,-0.16675492,0.37655490,-0.0
 1027097,0.18011942,0.42581057,-0.07988513,0.01100005,-0.04417747,0.475
 25050,0.02467044,-0.08411111,0.02161487,-0.02033104,0.60046421,-0.0281
 9644,-0.01583709,-0.17348083,-0.03569938,0.07615795,0.44365921,-0.0746
 3263,0.15279103,0.09406451,0.00257635,-0.01279673,-0.01401550,0.071546
 37,0.13900591,-0.30464639,-0.21275600,-0.00085676,0.00012891,0.0050479
 2,-0.13829420,0.30142748,0.06553757,-0.17442083,-0.16825611,0.01269239
 ,-0.03405197,-0.02711529,-0.07594374,0.20473568,0.19827605,0.00359244,
 -0.01076174,-0.01056498,-0.05867246,0.04017676,0.02113975,-0.00080735,
 -0.00067060,-0.00244881,0.06856217,-0.00114961,0.00602996,-0.00163021,
 0.04072233,-0.25833289,-0.09476987,-0.00055586,0.00183179,0.00198993,-
 0.03995163,0.27717468,0.00213325,-0.02984024,-0.03230602,0.01928936,-0
 .08619741,-0.08294151,-0.00425708,-0.00043126,-0.00535783,-0.01693120,
 0.09994771,0.11012974,0.00824923,0.00888002,-0.01213204,-0.11082463,-0
 .04159026,0.03251346,-0.00033862,0.00042791,0.00039486,0.00229940,0.00
 229292,-0.00151707,0.54924468,0.00054230,0.00076274,0.00680933,-0.0376
 2460,-0.13823212,0.03103999,0.00082799,0.00193251,-0.00053228,-0.01816
 190,-0.02287280,0.01615618,-0.03897591,0.52077749,0.00914755,0.0299509
 1,-0.04068131,0.02589795,0.02469606,-0.09034720,0.00052335,0.00160892,
 0.00011368,-0.00548132,-0.00713171,0.00816600,0.03423076,0.03634089,0.
 54131809,-0.02114778,0.00553253,-0.01777870,-0.18307551,0.01822818,0.0
 1359381,0.00159079,0.00018096,-0.00026892,-0.00988980,0.00228391,0.000
 26605,-0.02166811,-0.00242800,0.00633732,0.62853489,0.00398823,0.00405
 118,0.00148724,0.01389273,-0.10063222,-0.00547017,-0.00211222,0.001276
 56,0.00053738,0.03019896,-0.00615061,-0.00169503,-0.02407512,0.0065886
 5,0.00116165,0.00879518,0.65142749,-0.04011750,0.00784895,-0.01407846,
 0.01383933,-0.00963697,-0.06947888,-0.00091303,0.00156961,0.00193921,0
 .01286796,-0.00202779,0.00157255,0.01651241,-0.00340327,0.00133098,-0.
 00476112,0.08744802,0.20106117,-0.00003426,0.00169195,-0.00099329,0.00
 185420,-0.01724275,-0.00941567,0.00044188,0.00029534,0.00032716,-0.001
 24342,-0.00244290,0.00223707,-0.04926399,0.02355057,0.01211117,0.00113
 205,0.00043640,-0.00062253,0.05138451,0.00056486,0.00342570,0.00036010
 ,0.00191982,-0.02405465,-0.01201007,-0.00022916,-0.00055854,0.00106711
 ,-0.00295653,-0.00174851,0.00310269,0.02280237,-0.25672833,-0.09858169
 ,0.00167575,0.00019234,0.00030735,-0.02474625,0.28243607,-0.00053643,-
 0.00106662,0.00285763,-0.00264361,0.01705338,0.00646261,0.00034088,-0.
 00018000,-0.00027571,0.00187812,0.00290645,-0.00115420,0.01064597,-0.0
 9922753,-0.09349594,-0.00037550,-0.00093574,0.00020246,-0.01470386,0.1
 0844967,0.09823223,0.00020303,-0.00313740,0.00397004,0.00506521,0.0020
 7691,0.01500675,0.00001530,-0.00014881,-0.00019419,0.00050102,0.000312
 91,-0.00059193,-0.07608748,0.00367940,-0.08184224,-0.00013594,0.000240
 14,0.00013939,0.00024944,-0.00042598,0.00400719,0.07824306,-0.00219239
 ,-0.00257300,0.00578671,0.01004367,0.00136410,0.01841030,-0.00029348,-
 0.00078980,0.00039290,0.00063995,0.00030814,-0.00083567,0.00304261,-0.
 04851750,0.01213817,0.00018796,0.00056695,-0.00036483,-0.00998752,0.00
 267780,-0.02777977,-0.00334159,0.04850550,0.00224345,0.00407316,-0.003
 15605,-0.00715028,-0.00301516,-0.01429876,-0.00036531,0.00018165,0.000
 64734,-0.00000809,0.00046244,0.00058416,-0.07968786,0.01315037,-0.2789
 1092,-0.00063472,0.00002368,0.00068070,-0.00403027,0.00083592,-0.01196
 261,0.08897888,-0.01546985,0.30441965,0.00259264,0.00061176,-0.0006233
 6,-0.01868099,0.00458860,-0.00079636,-0.00015429,0.00003753,-0.0000686
 8,0.00077972,-0.00030491,-0.00030069,-0.29555591,0.06470343,0.00083047
 ,-0.00013018,-0.00322069,0.00158104,-0.00188207,0.00076871,0.00017523,
 -0.00820538,0.00200584,0.00008787,0.32185338,0.00086799,0.00078211,-0.
 00210923,-0.02578987,0.00469013,0.00114048,0.00014369,-0.00006808,0.00
 007778,0.00014916,0.00115159,-0.00070647,0.06681533,-0.06356361,-0.000
 56557,-0.00093015,-0.00333652,0.00313046,0.02822972,-0.00700149,0.0006
 8351,0.00073770,-0.00144576,-0.00011409,-0.06914038,0.06818593,-0.0006
 8461,-0.00102065,0.00138935,0.01745227,-0.00419531,-0.00167709,0.00022
 463,-0.00001053,-0.00001789,-0.00076753,-0.00029392,0.00045683,-0.0017
 6581,-0.00043991,-0.04712880,0.00108833,0.00249683,-0.00103514,0.01406
 012,-0.00321078,-0.00075795,-0.02956338,0.00780563,0.00180146,-0.00091
 407,-0.00130076,0.04664801,-0.00039433,-0.00132463,-0.00060303,-0.0258
 8447,-0.02376735,-0.00215415,-0.00096253,0.00002447,-0.00048534,0.0009
 9966,-0.00261595,-0.00088277,-0.00325249,0.00139717,-0.00124804,-0.198
 26013,-0.05846842,-0.00861256,-0.00028762,-0.00033190,-0.00001168,0.00
 021340,-0.00001889,0.00045057,-0.00050023,-0.00086975,0.00073271,0.680
 04379,0.00288474,-0.00140210,0.00185912,-0.00271096,0.00894089,-0.0006
 7005,-0.00078087,-0.00042665,-0.00040917,0.00252422,0.00046916,-0.0000
 7973,0.00243220,-0.00085595,-0.00074141,-0.12328413,-0.23859492,-0.029
 56966,-0.00011335,-0.00013577,0.00010310,0.00007550,0.00004034,0.00011
 943,0.00060013,0.00045887,-0.00028267,-0.02899488,0.69688739,-0.000256
 50,0.00033930,0.00087294,-0.00018125,0.00000507,0.00336412,0.00019615,
 0.00011220,0.00012843,0.00008872,0.00067144,-0.00004529,0.00109719,0.0
 0027259,-0.00038043,-0.02081698,-0.03252293,-0.07205008,-0.00006941,-0
 .00006573,0.00015785,-0.00009825,-0.00019155,0.00022754,0.00044127,0.0
 0007350,-0.00001954,-0.01807202,0.10915002,0.15382139,-0.00015945,0.00
 174026,-0.00059567,0.00081024,-0.00439648,0.00066305,0.00047603,-0.000
 10852,0.00058634,-0.00009529,0.00047611,0.00013364,-0.00073733,0.00038
 517,-0.00010054,-0.04191971,-0.06569678,-0.01174849,0.00025895,0.00015
 875,-0.00003210,-0.00006841,-0.00001687,-0.00010011,-0.00025535,-0.000
 03249,0.00008873,-0.32946546,0.05821066,0.01746585,0.69047252,-0.00008
 136,-0.00058611,-0.00034344,-0.00196723,-0.00318225,-0.00146683,-0.000
 24762,-0.00002108,-0.00024559,-0.00012725,0.00021519,0.00011414,-0.000
 54663,0.00042231,0.00011843,-0.01903749,0.04608731,0.00753514,0.000045
 47,0.00006464,-0.00002762,0.00002918,-0.00007443,0.00016517,-0.0000825
 2,-0.00008464,0.00020036,-0.00635828,-0.13104782,-0.01275320,0.0399913
 5,0.69072680,0.00233075,-0.00022706,0.00103640,-0.00131404,-0.00238282
 ,0.00679400,-0.00009252,-0.00014211,-0.00018175,0.00002713,0.00024673,
 0.00008108,-0.00128057,0.00036970,-0.00048397,-0.00211115,0.01027254,0
 .00731522,-0.00004163,-0.00005195,-0.00000659,0.00009147,0.00007673,-0
 .00003601,-0.00023290,-0.00035002,0.00016573,0.00604322,-0.01552356,-0
 .06240251,-0.00749580,0.10881940,0.15100998,-0.00098012,0.00038383,-0.
 00014587,0.00053448,-0.00063749,-0.00067627,0.00013828,0.00007831,0.00
 039650,0.00002317,-0.00009284,0.00000487,-0.00048865,0.00008570,-0.000
 07075,-0.00038207,-0.01017064,-0.00156384,0.00002846,0.00010453,0.0000
 2651,0.00000043,0.00005592,-0.00002983,-0.00008076,-0.00006827,0.00004
 920,-0.01243815,0.03678666,0.00738917,-0.15843072,0.10073090,0.0225572
 0,0.74117116,0.00005216,0.00150685,0.00034616,-0.00085384,-0.00213392,
 -0.00032839,0.00061324,-0.00000423,0.00059076,-0.00023269,0.00038892,0
 .00021113,-0.00020763,0.00026618,0.00020218,-0.00922951,-0.06625560,-0
 .01179722,0.00021728,0.00011606,-0.00007280,-0.00005221,-0.00000542,-0
 .00014489,-0.00011870,0.00001552,-0.00002877,0.08314553,0.01771105,-0.
 00095230,0.03698908,-0.29438702,-0.04740023,-0.00864071,0.64135203,-0.
 00021829,0.00035298,-0.00009897,0.00008225,-0.00033355,-0.00094333,0.0
 0008223,0.00007492,0.00006004,0.00002935,0.00005893,0.00012618,0.00000
 050,-0.00005761,-0.00000079,-0.00218826,-0.01154244,-0.00773319,0.0000
 1470,0.00006304,0.00005168,-0.00001149,-0.00001200,-0.00004487,0.00000
 352,0.00006905,-0.00002732,0.01678084,0.00138991,0.00512774,0.01007223
 ,-0.04919911,-0.06826311,-0.01877263,0.10082014,0.14718458,-0.00002032
 ,-0.00163973,-0.00107618,0.00345352,0.00221312,0.00184417,-0.00090590,
 -0.00013171,-0.00073435,0.00014891,-0.00040262,-0.00035629,0.00037317,
 -0.00042725,-0.00046702,-0.01261060,0.08311094,0.01719605,-0.00018726,
 -0.00012578,0.00003877,0.00001142,0.00005377,0.00023152,0.00006963,-0.
 00002759,0.00008454,-0.05941889,-0.02298610,-0.00218592,0.06263612,-0.
 04008510,-0.00934011,-0.20759816,-0.06567743,-0.00893651,0.67134859,-0
 .00086122,0.00017018,-0.00020305,0.00091761,-0.00547794,-0.00300026,-0
 .00020069,-0.00015771,0.00015863,0.00163453,-0.00040410,-0.00010203,-0
 .00078213,-0.00052777,-0.00001876,0.03635839,0.01753209,0.00201984,0.0
 0018271,0.00063233,0.00016466,0.00004619,0.00005693,0.00000673,-0.0000
 2123,0.00032686,0.00011345,-0.02332819,-0.01046608,-0.00008178,0.00627
 008,-0.05611473,-0.01232804,-0.12931894,-0.24775431,-0.03331369,-0.022
 35969,0.70779556,0.00177169,0.00007034,0.00120566,-0.00055838,-0.00180
 481,0.00559451,0.00031146,-0.00033079,-0.00001903,-0.00013741,-0.00007
 224,-0.00015096,-0.00036613,-0.00021611,0.00001343,0.00740618,-0.00000
 286,0.00541045,-0.00011528,0.00007848,-0.00001349,-0.00009670,0.000180
 82,0.00007175,0.00000326,-0.00022402,-0.00003056,-0.00280059,-0.000101
 35,-0.00659680,-0.00047307,-0.01082005,0.00411062,-0.02112611,-0.03505
 662,-0.06435038,-0.02046098,0.11257344,0.15056042,0.00011111,0.0009413
 7,0.00107308,-0.01397626,0.03092035,0.00669778,0.00076058,0.00002816,0
 .00020959,-0.00580211,0.00116465,0.00039710,-0.00054558,0.00145631,-0.
 00014769,-0.15295089,0.03080224,0.00752511,-0.00077143,0.00029099,0.00
 028688,-0.00011862,-0.00000331,0.00010345,0.00022704,-0.00002187,0.000
 02338,0.06026624,0.00547067,-0.00099764,-0.04264918,0.03210235,0.00728
 272,-0.04330782,-0.06591605,-0.01120481,-0.32918630,0.05939983,0.01967
 300,0.69600685,-0.00222305,-0.00075558,-0.00209438,0.01147687,0.000734
 54,0.00091266,0.00065221,0.00077966,-0.00047179,-0.00136431,0.00087099
 ,-0.00006940,0.00009714,0.00056839,0.00086731,0.08861670,-0.27700705,-
 0.04263800,-0.00057052,-0.00069908,-0.00027740,-0.00010587,-0.00009487
 ,-0.00037395,-0.00038196,-0.00057735,0.00000165,-0.03840188,-0.0557844
 4,-0.01123016,0.03118777,-0.02523280,-0.00463760,-0.01924074,0.0449786
 4,0.00796305,-0.00479127,-0.12904287,-0.01359273,0.03918143,0.67459098
 ,-0.00104274,-0.00030466,0.00100459,0.00195317,-0.00006068,0.00090230,
 0.00041541,0.00022950,0.00009348,0.00034292,-0.00028542,0.00099601,0.0
 0069166,-0.00026104,0.00019730,0.02041514,-0.03992476,-0.07484831,0.00
 014925,-0.00051221,-0.00044423,0.00010429,0.00008143,0.00024852,-0.000
 12586,-0.00037031,0.00019761,-0.01001451,-0.01301579,0.00818737,0.0075
 5050,-0.00519486,-0.00782565,-0.00197708,0.01007469,0.00762323,0.00739
 646,-0.01553464,-0.06151851,-0.01127686,0.09994755,0.15159368,-0.00001
 835,0.00013889,0.00023030,0.00120419,-0.00199159,-0.00083514,0.0000155
 7,0.00001216,0.00001336,-0.00018970,0.00026379,0.00026348,0.00005362,0
 .00015929,0.00004492,0.00945502,-0.01719071,-0.00334421,0.00005492,0.0
 0006155,-0.00004517,0.00000893,0.00000389,-0.00002721,0.00000042,0.000
 01329,-0.00001945,-0.09630237,0.09217183,0.01925117,-0.00715763,0.0302
 2813,0.00585727,-0.00565334,-0.00041230,0.00028360,-0.00094582,-0.0005
 9578,-0.00012488,-0.00189937,-0.00331202,-0.00042484,0.10036081,-0.000
 27958,0.00036681,0.00000268,0.00261507,-0.00019290,0.00045630,0.000222
 23,-0.00000416,0.00011815,-0.00115738,0.00086729,0.00035893,-0.0003213
 3,0.00040285,0.00020636,0.01047278,-0.01969881,-0.00477019,0.00015008,
 0.00021486,-0.00003203,0.00000157,-0.00003636,-0.00001530,-0.00007873,
 -0.00006003,0.00005395,0.09163546,-0.28459172,-0.04944768,-0.00024553,
 -0.00021323,-0.00044340,0.00052919,0.00216615,-0.00102254,-0.00074505,
 0.00036608,0.00019989,-0.00416027,-0.00204514,-0.00141400,-0.09963893,
 0.30299782,-0.00092884,0.00016893,-0.00089364,0.00059430,0.00121475,-0
 .00318823,-0.00002299,-0.00000630,0.00004947,-0.00013890,-0.00013504,0
 .00012486,0.00043964,0.00006881,0.00032458,0.00243816,-0.00434414,0.00
 296142,0.00006146,0.00006204,-0.00003079,-0.00002353,-0.00001662,-0.00
 002609,0.00006192,0.00012520,-0.00005240,0.01849521,-0.04939001,-0.045
 33045,0.00029536,-0.00135945,0.00187389,0.00051614,-0.00099607,0.00733
 694,-0.00012219,0.00019898,-0.00051322,-0.00066677,-0.00136177,0.00566
 129,-0.02104558,0.05509397,0.03584586,-0.00029695,0.00008369,-0.000312
 95,0.00004101,-0.00145694,0.00012948,0.00004948,0.00003539,0.00006409,
 0.00001523,0.00004886,0.00001636,-0.00038125,0.00020398,-0.00005762,-0
 .00517752,0.00225420,0.00060778,0.00001721,-0.00001989,-0.00001492,0.0
 0001020,-0.00000222,0.00001631,-0.00010317,-0.00009686,0.00007259,-0.0
 1460033,-0.02648953,-0.00473351,-0.16341006,-0.13155175,-0.02213399,0.
 01121945,0.01053283,0.00178957,0.00018523,0.00264738,0.00074239,-0.000
 56841,0.00103681,0.00020707,0.00107764,0.00038185,-0.00003391,0.170723
 89,-0.00008912,0.00000293,-0.00006153,0.00035815,0.00013123,0.00004050
 ,0.00001602,0.00000458,0.00002481,-0.00001465,-0.00000583,-0.00000288,
 0.00001891,-0.00000639,-0.00003950,0.00135991,0.00171612,-0.00115426,0
 .00000217,-0.00000115,0.00001181,0.00000324,-0.00000333,0.00000124,0.0
 0000466,0.00000213,-0.00000297,0.00404700,0.00677732,0.00081732,-0.131
 53885,-0.22561183,-0.03373162,-0.01998389,-0.01774060,-0.00331475,0.00
 353932,-0.00364255,-0.00228647,0.00098659,-0.00002478,0.00010388,-0.00
 040122,0.00064446,0.00085859,0.14242327,0.23783216,-0.00000262,-0.0001
 2083,-0.00000872,0.00000375,0.00020818,0.00011255,0.00001143,-0.000046
 22,-0.00001710,0.00001173,-0.00001679,-0.00003107,-0.00007077,-0.00001
 761,0.00001443,0.00075735,-0.00114956,0.00747658,0.00000947,0.00001130
 ,-0.00001760,0.00001413,0.00002276,-0.00001636,-0.00003276,-0.00000542
 ,0.00000597,0.00124788,0.00158728,0.00239664,-0.02220041,-0.03366204,-
 0.04121807,-0.00419733,-0.00422527,0.00138009,0.00094008,-0.00225516,0
 .00700455,0.00019799,0.00016959,-0.00072802,-0.00017803,0.00081187,-0.
 00356134,0.02382485,0.03779320,0.03180666,-0.00006655,0.00000533,-0.00
 008105,0.00004636,0.00002097,0.00005548,0.00004461,-0.00002123,0.00005
 429,-0.00000118,0.00000597,-0.00001039,-0.00004263,-0.00005599,-0.0000
 4119,0.00066032,-0.00027330,-0.00012939,0.00001958,0.00003852,0.000021
 64,0.00000769,0.00000428,0.00000244,-0.00002172,0.00002469,0.00001526,
 0.00135450,0.00230034,0.00063291,-0.00788716,-0.00062159,0.00012957,-0
 .33000810,0.03655169,0.01517078,-0.01526379,0.00511762,0.00143389,-0.0
 0021609,-0.00375306,-0.00051874,-0.00047687,-0.00013753,-0.00000010,0.
 00080559,0.00033166,-0.00005881,0.35097282,0.00007694,0.00008124,0.000
 07909,-0.00000104,-0.00001270,0.00014963,0.00003471,-0.00003790,0.0000
 3495,-0.00008566,0.00007373,0.00003042,-0.00002053,-0.00002386,-0.0000
 0425,-0.00023854,-0.00135237,-0.00004209,0.00002956,0.00006183,0.00000
 969,-0.00000200,0.00000690,0.00000242,-0.00000053,0.00002178,0.0000042
 0,0.00137677,-0.00467148,-0.00248013,0.02993309,0.00089047,-0.00097704
 ,0.03659195,-0.06388763,-0.00678588,-0.02548089,0.00769833,0.00186521,
 -0.00287977,-0.00318000,-0.00204699,0.00141511,-0.00012755,-0.00011520
 ,-0.00052810,0.00089670,0.00091336,-0.03958550,0.06260672,-0.00023815,
 -0.00003311,-0.00020856,0.00003893,0.00025868,-0.00092612,-0.00003520,
 0.00000875,0.00000821,-0.00001912,-0.00003397,-0.00000789,0.00002723,0
 .00005968,0.00006218,-0.00003637,-0.00009984,-0.00113705,0.00005429,0.
 00002197,-0.00000514,0.00000618,-0.00003916,-0.00001212,0.00000871,0.0
 0005913,0.00000945,0.00035071,-0.00253824,0.00740373,0.00619144,-0.000
 23088,0.00139208,0.01514182,-0.00675896,-0.03604801,-0.00450750,0.0011
 3810,0.00184100,-0.00030144,-0.00199676,0.00734888,0.00032898,-0.00004
 396,0.00015261,-0.00023139,0.00088381,-0.00349191,-0.01657882,0.008489
 76,0.02689688,-0.00016250,-0.00007745,-0.00021593,0.00038064,0.0015064
 9,0.00059775,0.00007233,0.00003177,0.00003284,-0.00048116,0.00011856,0
 .00001560,0.00004726,0.00007368,-0.00005124,-0.00577963,-0.00039909,0.
 00024481,-0.00000788,-0.00005344,-0.00000891,0.00000065,-0.00000437,0.
 00001490,-0.00003458,-0.00004141,0.00001707,-0.00106228,-0.00073118,-0
 .00010848,-0.00189829,-0.00335218,-0.00039687,0.01149551,-0.01901452,-
 0.00395415,-0.09684296,0.09189679,0.01952436,-0.00719631,0.03016425,0.
 00597436,0.00007840,0.00009304,-0.00001891,0.00035360,-0.00097982,-0.0
 0020200,0.00088430,0.00062225,0.00000388,0.09901154,0.00017733,-0.0000
 1905,0.00016414,-0.00042160,-0.00013924,-0.00019300,-0.00003626,-0.000
 02389,-0.00007527,0.00010250,-0.00000759,0.00003532,0.00003971,-0.0000
 2447,0.00002599,0.00053589,0.00223276,-0.00108796,-0.00001478,-0.00000
 149,0.00000255,-0.00000421,-0.00000743,0.00000064,0.00002897,0.0000120
 2,-0.00001408,-0.00074121,0.00044590,0.00027287,-0.00425040,-0.0017933
 9,-0.00165390,0.01156896,-0.01804020,-0.00415925,0.09196633,-0.2874720
 0,-0.05110283,-0.00028408,-0.00047836,-0.00043000,0.00008463,-0.000080
 62,0.00021189,0.00060342,-0.00093915,-0.00024744,-0.00024202,0.0008159
 8,0.00085790,-0.09950650,0.30478789,0.00003870,0.00003700,-0.00015239,
 -0.00021357,-0.00014700,0.00026985,-0.00007859,0.00003533,0.00004075,-
 0.00003474,0.00000512,-0.00012770,0.00011796,0.00006436,0.00003168,0.0
 0066904,-0.00124687,0.00756112,0.00001675,-0.00002291,-0.00001254,0.00
 000805,-0.00000562,-0.00001982,-0.00000069,-0.00000266,-0.00001074,-0.
 00007879,0.00031009,-0.00070573,-0.00065529,-0.00164284,0.00713628,0.0
 0192211,-0.00348873,0.00117077,0.01951133,-0.05093557,-0.04501961,0.00
 025648,-0.00117742,0.00156634,-0.00001187,0.00021486,-0.00117829,0.000
 10903,-0.00019111,0.00014889,-0.00017042,0.00084621,-0.00344974,-0.021
 24993,0.05652639,0.03640605,-0.00006475,-0.00010483,0.00023356,-0.0002
 1725,-0.00019119,-0.00045259,0.00007375,0.00007393,-0.00016496,0.00026
 075,-0.00017369,0.00009064,-0.00108070,0.00060866,0.00038416,0.0117548
 1,0.00788796,0.00129876,-0.00176327,0.00050307,0.00095098,0.00008604,-
 0.00017725,-0.00009572,0.00008181,0.00003708,-0.00019399,-0.00004830,0
 .00263406,0.00095754,-0.00051982,0.00093165,0.00012027,-0.00524304,0.0
 0225378,0.00097657,-0.01524660,-0.02700326,-0.00460669,-0.15818346,-0.
 12826852,-0.01981958,0.00033394,0.00066304,0.00009955,0.00003917,-0.00
 008337,-0.00007592,-0.00081168,-0.00125782,-0.00020416,0.00114138,0.00
 039329,-0.00015555,0.16940723,0.00080034,0.00035874,0.00056898,-0.0023
 8937,0.00004792,0.00038999,0.00024598,-0.00064306,0.00047880,0.0000582
 5,0.00014086,0.00000361,-0.00032958,-0.00036833,-0.00023397,-0.0190803
 2,-0.01864335,-0.00336715,0.00028682,0.00110739,0.00021470,0.00001534,
 0.00002125,0.00011037,0.00000002,0.00049053,0.00012427,0.00359493,-0.0
 0375398,-0.00198884,0.00094361,-0.00005738,0.00006424,0.00123757,0.001
 70752,-0.00105118,0.00399672,0.00648169,0.00064269,-0.12947957,-0.2276
 0087,-0.03108170,-0.00101000,-0.00097581,-0.00027855,-0.00010640,-0.00
 003200,0.00022882,0.00028915,0.00013980,-0.00000290,-0.00034689,0.0007
 3233,0.00082136,0.14127340,0.24084676,-0.00070987,-0.00008991,-0.00085
 607,0.00009429,0.00061676,-0.00276190,-0.00044610,0.00029873,-0.000115
 95,0.00014643,0.00010821,-0.00011495,0.00014862,-0.00017656,-0.0001429
 7,-0.00399967,-0.00449302,0.00284925,0.00095052,0.00009567,0.00021231,
 0.00009536,-0.00018039,-0.00019750,-0.00009790,0.00038946,0.00008301,0
 .00086236,-0.00219732,0.00584307,0.00035434,-0.00000672,-0.00049760,0.
 00055617,-0.00099482,0.00744871,0.00094414,0.00139914,0.00240019,-0.01
 913137,-0.02994046,-0.04025588,-0.00021669,-0.00032787,0.00044353,-0.0
 0006122,0.00024992,-0.00125616,0.00007265,0.00002667,0.00017153,-0.000
 21917,0.00086604,-0.00365519,0.02065712,0.03435647,0.03040258\\0.00001
 061,0.00000389,0.00001547,-0.00001199,0.00001640,-0.00001374,-0.000000
 55,-0.00000484,-0.00000465,0.00000138,-0.00000107,0.00000040,-0.000001
 74,-0.00001471,0.00000092,0.00000653,-0.00000477,0.00000710,-0.0000036
 5,0.00000353,0.00000510,0.00000017,0.00000222,0.00000085,0.00000207,0.
 00000250,-0.00000163,0.00000139,-0.00000762,-0.00000698,-0.00000548,-0
 .00000104,-0.00000168,-0.00000231,-0.00000101,-0.00000027,0.00000075,0
 .00000218,-0.00000131,-0.00000102,0.00000501,-0.00000334,-0.00000105,-
 0.00000021,0.00000337,0.00000135,-0.00000180,-0.00000054,-0.00000004,0
 .00000169,0.00000004,-0.00000205,0.00000014,0.00000017,0.00000562,-0.0
 0000049,0.00000073\\\@


 THE UNDERLYING PHYSICAL LAWS NECESSARY FOR THE 
 MATHEMATICAL THEORY OF A LARGE PART OF PHYSICS AND THE
 WHOLE OF CHEMISTRY ARE THUS COMPLETELY KNOWN, AND THE
 DIFFICULTY IS ONLY THAT THE EXACT APPLICATION OF THESE
 LAWS LEADS TO EQUATIONS MUCH TOO COMPLICATED 
 TO BE SOLUBLE.

                                        -- P. A. M. DIRAC, 1929
 Job cpu time:       0 days  1 hours 53 minutes 35.3 seconds.
 Elapsed time:       0 days  0 hours 14 minutes 14.3 seconds.
 File lengths (MBytes):  RWF=    227 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:50:40 2021.
